Monday, January 2, 2012

http://ChemLookup.com Compounds




CAS RN: 31124-88-6
CAS Name: 3-(4-methoxyphenyl)-1,1-dimethylthiourea
OPENEYE Name: 3-(4-methoxyphenyl)-1,1-dimethyl-thiourea
IUPAC Name: 3-(4-methoxyphenyl)-1,1-dimethylthiourea
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-1,1-dimethyl-thiourea
MOLECULAR FORMULA: C10H14N2OS
MOLECULAR WEIGHT: 210.29596
SMILES: CN(C)C(=S)NC1=CC=C(C=C1)OC
Structure:

CAS RN: 92556-21-3
CAS Name: 1-anilino-3-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]thiourea
OPENEYE Name: 1-anilino-3-[(4-methoxyphenyl)carbamothioylamino]thiourea
IUPAC Name: 1-anilino-3-[(4-methoxyphenyl)carbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-3-(phenylazanylcarbamothioylamino)thiourea
MOLECULAR FORMULA: C15H17N5OS2
MOLECULAR WEIGHT: 347.45838
SMILES: COC1=CC=C(C=C1)NC(=S)NNC(=S)NNC2=CC=CC=C2
Structure:

CAS RN: 91735-33-0
CAS Name: 2-[methyl(7H-purin-6-yl)amino]ethanol
OPENEYE Name: 2-[methyl(7H-purin-6-yl)amino]ethanol
IUPAC Name: 2-[methyl(7H-purin-6-yl)amino]ethanol
SYSTEMATIC NAME: 2-[methyl(7H-purin-6-yl)amino]ethanol
MOLECULAR FORMULA: C8H11N5O
MOLECULAR WEIGHT: 193.20584
SMILES: CN(CCO)C1=NC=NC2=C1NC=N2
Structure:

CAS RN: 544442-03-7
CAS Name: 5-bromo-N-propyl-2-furancarboxamide
OPENEYE Name: 5-bromo-N-propyl-furan-2-carboxamide
IUPAC Name: 5-bromo-N-propylfuran-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-propyl-furan-2-carboxamide
MOLECULAR FORMULA: C8H10BrNO2
MOLECULAR WEIGHT: 232.0745
SMILES: CCCNC(=O)C1=CC=C(O1)Br
Structure:

CAS RN: 85712-15-8
CAS Name: dimethoxy-methyl-octylsilane
OPENEYE Name: dimethoxy-methyl-octyl-silane
IUPAC Name: dimethoxy-methyl-octylsilane
SYSTEMATIC NAME: dimethoxy-methyl-octyl-silane
MOLECULAR FORMULA: C11H26O2Si
MOLECULAR WEIGHT: 218.40844
SMILES: CCCCCCCC[Si](C)(OC)OC
Structure:

CAS RN: 56309-62-7
CAS Name: 2-isocyanato-1,4-dimethoxybenzene
OPENEYE Name: 2-isocyanato-1,4-dimethoxy-benzene
IUPAC Name: 2-isocyanato-1,4-dimethoxybenzene
SYSTEMATIC NAME: 2-isocyanato-1,4-dimethoxy-benzene
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: COC1=CC(=C(C=C1)OC)N=C=O
Structure:

CAS RN: 115687-24-6
CAS Name: 4-methyl-1-(phenylmethyl)-3-pyrrolidinecarbonitrile
OPENEYE Name: 1-benzyl-4-methyl-pyrrolidine-3-carbonitrile
IUPAC Name: 1-benzyl-4-methylpyrrolidine-3-carbonitrile
SYSTEMATIC NAME: 4-methyl-1-(phenylmethyl)pyrrolidine-3-carbonitrile
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: CC1CN(CC1C#N)CC2=CC=CC=C2
Structure:

CAS RN: 164513-39-7
CAS Name: 5-bromo-2-methoxy-4-methylpyridine
OPENEYE Name: 5-bromo-2-methoxy-4-methyl-pyridine
IUPAC Name: 5-bromo-2-methoxy-4-methylpyridine
SYSTEMATIC NAME: 5-bromanyl-2-methoxy-4-methyl-pyridine
MOLECULAR FORMULA: C7H8BrNO
MOLECULAR WEIGHT: 202.04852
SMILES: CC1=CC(=NC=C1Br)OC
Structure:

CAS RN: 865-34-9
CAS Name: lithium methanolate
OPENEYE Name: lithium methanolate
IUPAC Name: lithium methanolate
SYSTEMATIC NAME: lithium methanolate
MOLECULAR FORMULA: CH3LiO
MOLECULAR WEIGHT: 37.97492
SMILES: [Li+].C[O-]
Structure:

CAS RN: 192823-90-8
CAS Name: lithium methanolate
OPENEYE Name: lithium methanolate
IUPAC Name: lithium methanolate
SYSTEMATIC NAME: lithium methanolate
MOLECULAR FORMULA: CH3LiO
MOLECULAR WEIGHT: 37.97492
SMILES: [Li+].C[O-]
Structure:

CAS RN: 224181-26-4
CAS Name: lithium methanolate
OPENEYE Name: lithium methanolate
IUPAC Name: lithium methanolate
SYSTEMATIC NAME: lithium methanolate
MOLECULAR FORMULA: CH3LiO
MOLECULAR WEIGHT: 37.97492
SMILES: [Li+].C[O-]
Structure:

CAS RN: 226904-79-6
CAS Name: lithium methanolate
OPENEYE Name: lithium methanolate
IUPAC Name: lithium methanolate
SYSTEMATIC NAME: lithium methanolate
MOLECULAR FORMULA: CH3LiO
MOLECULAR WEIGHT: 37.97492
SMILES: [Li+].C[O-]
Structure:

CAS RN: 719776-96-2
CAS Name: lithium methanolate
OPENEYE Name: lithium methanolate
IUPAC Name: lithium methanolate
SYSTEMATIC NAME: lithium methanolate
MOLECULAR FORMULA: CH3LiO
MOLECULAR WEIGHT: 37.97492
SMILES: [Li+].C[O-]
Structure:

CAS RN: 134272-63-2
CAS Name: N-[2-(2,5-dioxo-1-pyrrolyl)ethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
IUPAC Name: tert-butyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]carbamate
MOLECULAR FORMULA: C11H16N2O4
MOLECULAR WEIGHT: 240.25574
SMILES: CC(C)(C)OC(=O)NCCN1C(=O)C=CC1=O
Structure:

CAS RN: 84176-70-5
CAS Name: sodium 2-hydroxypentanoate
OPENEYE Name: sodium 2-hydroxypentanoate
IUPAC Name: sodium 2-hydroxypentanoate
SYSTEMATIC NAME: sodium 2-oxidanylpentanoate
MOLECULAR FORMULA: C5H9NaO3
MOLECULAR WEIGHT: 140.11293
SMILES: CCCC(C(=O)[O-])O.[Na+]
Structure:

CAS RN: 26019-47-6
CAS Name: 3-(2,3-dimethyl-1-indolyl)propanenitrile
OPENEYE Name: 3-(2,3-dimethylindol-1-yl)propanenitrile
IUPAC Name: 3-(2,3-dimethylindol-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(2,3-dimethylindol-1-yl)propanenitrile
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: CC1=C(N(C2=CC=CC=C12)CCC#N)C
Structure:

CAS RN: 22279-89-6
CAS Name: 2,5-dimethyl-4-pyridinamine
OPENEYE Name: 2,5-dimethylpyridin-4-amine
IUPAC Name: 2,5-dimethylpyridin-4-amine
SYSTEMATIC NAME: 2,5-dimethylpyridin-4-amine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC1=NC=C(C(=C1)N)C
Structure:

CAS RN: 104005-37-0
CAS Name: 2-methyl-1-[6-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]-9-octyl-3-carbazolyl]-2-(4-morpholinyl)-1-propanone
OPENEYE Name: 2-methyl-1-[6-(2-methyl-2-morpholino-propanoyl)-9-octyl-carbazol-3-yl]-2-morpholino-propan-1-one
IUPAC Name: 2-methyl-1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9-octylcarbazol-3-yl]-2-morpholin-4-ylpropan-1-one
SYSTEMATIC NAME: 2-methyl-1-[6-(2-methyl-2-morpholin-4-yl-propanoyl)-9-octyl-carbazol-3-yl]-2-morpholin-4-yl-propan-1-one
MOLECULAR FORMULA: C36H51N3O4
MOLECULAR WEIGHT: 589.80784
SMILES: CCCCCCCCN1C2=C(C=C(C=C2)C(=O)C(C)(C)N3CCOCC3)C4=C1C=CC(=C4)C(=O)C(C)(C)N5CCOCC5
Structure:

CAS RN: 1807-49-4
CAS Name: 2-diazonio-3-oxo-1-indenolate
OPENEYE Name: 2-diazonio-3-oxo-inden-1-olate
IUPAC Name: 2-diazonio-3-oxoinden-1-olate
SYSTEMATIC NAME: 2-diazonio-3-oxidanylidene-inden-1-olate
MOLECULAR FORMULA: C9H4N2O2
MOLECULAR WEIGHT: 172.14026
SMILES: C1=CC=C2C(=C1)C(=C(C2=O)[N+]#N)[O-]
Structure:

CAS RN: 4005-05-4
CAS Name: 4-(2-methyl-4-oxo-3-quinazolinyl)benzoate
OPENEYE Name: 4-(2-methyl-4-oxo-quinazolin-3-yl)benzoate
IUPAC Name: 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SYSTEMATIC NAME: 4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzoate
MOLECULAR FORMULA: C16H11N2O3-
MOLECULAR WEIGHT: 279.27014
SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)[O-]
Structure:

CAS RN: 89187-40-6
CAS Name: 2,5-dimethyl-3-pyrazolecarbohydrazide
OPENEYE Name: 2,5-dimethylpyrazole-3-carbohydrazide
IUPAC Name: 2,5-dimethylpyrazole-3-carbohydrazide
SYSTEMATIC NAME: 2,5-dimethylpyrazole-3-carbohydrazide
MOLECULAR FORMULA: C6H10N4O
MOLECULAR WEIGHT: 154.1698
SMILES: CC1=NN(C(=C1)C(=O)NN)C
Structure:

CAS RN: 94447-28-6
CAS Name: 2,5-dimethyl-3-pyrazolecarbohydrazide
OPENEYE Name: 2,5-dimethylpyrazole-3-carbohydrazide
IUPAC Name: 2,5-dimethylpyrazole-3-carbohydrazide
SYSTEMATIC NAME: 2,5-dimethylpyrazole-3-carbohydrazide
MOLECULAR FORMULA: C6H10N4O
MOLECULAR WEIGHT: 154.1698
SMILES: CC1=NN(C(=C1)C(=O)NN)C
Structure:

CAS RN: 21597-32-0
CAS Name: 3-oxobutanoic acid 3-methylbut-2-enyl ester
OPENEYE Name: 3-methylbut-2-enyl 3-oxobutanoate
IUPAC Name: 3-methylbut-2-enyl 3-oxobutanoate
SYSTEMATIC NAME: 3-methylbut-2-enyl 3-oxidanylidenebutanoate
MOLECULAR FORMULA: C9H14O3
MOLECULAR WEIGHT: 170.20566
SMILES: CC(=CCOC(=O)CC(=O)C)C
Structure:

CAS RN: 15992-83-3
CAS Name: 1,8-naphthyridin-2-amine
OPENEYE Name: 1,8-naphthyridin-2-amine
IUPAC Name: 1,8-naphthyridin-2-amine
SYSTEMATIC NAME: 1,8-naphthyridin-2-amine
MOLECULAR FORMULA: C8H7N3
MOLECULAR WEIGHT: 145.16128
SMILES: C1=CC2=C(N=C1)N=C(C=C2)N
Structure:

CAS RN: 57734-99-3
CAS Name: 1-phenyl-N-prop-2-ynylmethanimine
OPENEYE Name: 1-phenyl-N-prop-2-ynyl-methanimine
IUPAC Name: 1-phenyl-N-prop-2-ynylmethanimine
SYSTEMATIC NAME: 1-phenyl-N-prop-2-ynyl-methanimine
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: C#CCN=CC1=CC=CC=C1
Structure:

CAS RN: 154445-78-0
CAS Name: 2,2,4,6,7-pentamethyl-3H-benzofuran-5-sulfonyl chloride
OPENEYE Name: 2,2,4,6,7-pentamethyl-3H-benzofuran-5-sulfonyl chloride
IUPAC Name: 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonyl chloride
SYSTEMATIC NAME: 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonyl chloride
MOLECULAR FORMULA: C13H17ClO3S
MOLECULAR WEIGHT: 288.79028
SMILES: CC1=C2C(=C(C(=C1C)S(=O)(=O)Cl)C)CC(O2)(C)C
Structure:

CAS RN: 86232-28-2
CAS Name: 5-chloro-2,3-dimethoxybenzaldehyde
OPENEYE Name: 5-chloro-2,3-dimethoxy-benzaldehyde
IUPAC Name: 5-chloro-2,3-dimethoxybenzaldehyde
SYSTEMATIC NAME: 5-chloranyl-2,3-dimethoxy-benzaldehyde
MOLECULAR FORMULA: C9H9ClO3
MOLECULAR WEIGHT: 200.61896
SMILES: COC1=C(C(=CC(=C1)Cl)C=O)OC
Structure:

CAS RN: 99970-84-0
CAS Name: 2-(4-formyl-2-pyridinyl)-4-pyridinecarboxaldehyde
OPENEYE Name: 2-(4-formyl-2-pyridyl)pyridine-4-carbaldehyde
IUPAC Name: 2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde
SYSTEMATIC NAME: 2-(4-methanoylpyridin-2-yl)pyridine-4-carbaldehyde
MOLECULAR FORMULA: C12H8N2O2
MOLECULAR WEIGHT: 212.20412
SMILES: C1=CN=C(C=C1C=O)C2=NC=CC(=C2)C=O
Structure:

CAS RN: 73742-45-7
CAS Name: 5-chloro-6-(chloromethyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-chloro-6-(chloromethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-chloro-6-(chloromethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-chloranyl-6-(chloromethyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C5H4Cl2N2O2
MOLECULAR WEIGHT: 195.00346
SMILES: C(C1=C(C(=O)NC(=O)N1)Cl)Cl
Structure:

CAS RN: 294874-70-7
CAS Name: 3-methyl-5-(2-oxopropyl)-1-phenyl-4-pyrazolecarboxylate
OPENEYE Name: 5-acetonyl-3-methyl-1-phenyl-pyrazole-4-carboxylate
IUPAC Name: 3-methyl-5-(2-oxopropyl)-1-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: 3-methyl-5-(2-oxidanylidenepropyl)-1-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C14H13N2O3-
MOLECULAR WEIGHT: 257.26462
SMILES: CC1=NN(C(=C1C(=O)[O-])CC(=O)C)C2=CC=CC=C2
Structure:

CAS RN: 122891-92-3
CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylate
OPENEYE Name: 1-(benzenesulfonyl)piperidine-4-carboxylate
IUPAC Name: 1-(benzenesulfonyl)piperidine-4-carboxylate
SYSTEMATIC NAME: 1-(phenylsulfonyl)piperidine-4-carboxylate
MOLECULAR FORMULA: C12H14NO4S-
MOLECULAR WEIGHT: 268.30886
SMILES: C1CN(CCC1C(=O)[O-])S(=O)(=O)C2=CC=CC=C2
Structure:

CAS RN: 5810-55-9
CAS Name: N-(3-piperidinyl)acetamide
OPENEYE Name: N-(3-piperidyl)acetamide
IUPAC Name: N-piperidin-3-ylacetamide
SYSTEMATIC NAME: N-piperidin-3-ylethanamide
MOLECULAR FORMULA: C7H14N2O
MOLECULAR WEIGHT: 142.19886
SMILES: CC(=O)NC1CCCNC1
Structure:

CAS RN: 5412-25-9
CAS Name: bis(2,3-dibromopropyl) phosphate
OPENEYE Name: bis(2,3-dibromopropyl) phosphate
IUPAC Name: bis(2,3-dibromopropyl) phosphate
SYSTEMATIC NAME: bis[2,3-bis(bromanyl)propyl] phosphate
MOLECULAR FORMULA: C6H10Br4O4P-
MOLECULAR WEIGHT: 496.730961
SMILES: C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br
Structure:

CAS RN: 108724-15-8
CAS Name: 4-azepanamine
OPENEYE Name: azepan-4-amine
IUPAC Name: azepan-4-amine
SYSTEMATIC NAME: azepan-4-amine
MOLECULAR FORMULA: C6H14N2
MOLECULAR WEIGHT: 114.18876
SMILES: C1CC(CCNC1)N
Structure:

CAS RN: 82978-68-5
CAS Name: 1-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
OPENEYE Name: 1-[2-(1-ethoxycarbonylbutylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
IUPAC Name: 1-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[(1-ethoxy-1-oxidanylidene-pentan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
MOLECULAR FORMULA: C19H32N2O5
MOLECULAR WEIGHT: 368.46778
SMILES: CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O
Structure:

CAS RN: 86879-15-4
CAS Name: 2-[[4-amino-2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-p
OPENEYE Name: 2-[[4-amino-2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-p
IUPAC Name: 2-[[4-amino-2-[[2-[[1-[2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[(2,4-diamino-4-oxobutanoyl)amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbony
SYSTEMATIC NAME: 2-[[4-azanyl-2-[[2-[[1-[2-[[2-[[2-[[2-[[5-[bis(azanyl)methylideneamino]-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl
MOLECULAR FORMULA: C59H87N17O14
MOLECULAR WEIGHT: 1258.42758
SMILES: CC(C)CC(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)N
Structure:

CAS RN: 6139-91-9
CAS Name: 5,6-dimethyl-2-(3-methylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
OPENEYE Name: 5,6-dimethyl-2-(m-tolyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name: 5,6-dimethyl-2-(3-methylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 5,6-dimethyl-2-(3-methylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C17H19NO2
MOLECULAR WEIGHT: 269.33826
SMILES: CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C)C
Structure:

CAS RN: 25639-40-1
CAS Name: 2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-dihydroxy-3-oxo-2'-spiro[isobenzofuran-1,9'-xanthene]yl]methyl-methylamino]acetic acid
OPENEYE Name: 2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]methyl-methyl-amino]acetic acid
IUPAC Name: 2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-methylamino]acetic acid
SYSTEMATIC NAME: 2-[[7'-[[2-hydroxy-2-oxoethyl(methyl)amino]methyl]-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C28H26N2O9
MOLECULAR WEIGHT: 534.51404
SMILES: CN(CC1=C(C=C2C(=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)O)CN(C)CC(=O)O)O)CC(=O)O
Structure:

CAS RN: 59741-17-2
CAS Name: 2-isocyanato-1-methoxy-4-nitrobenzene
OPENEYE Name: 2-isocyanato-1-methoxy-4-nitro-benzene
IUPAC Name: 2-isocyanato-1-methoxy-4-nitrobenzene
SYSTEMATIC NAME: 2-isocyanato-1-methoxy-4-nitro-benzene
MOLECULAR FORMULA: C8H6N2O4
MOLECULAR WEIGHT: 194.14424
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])N=C=O
Structure:

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