CAS RN: 19291-76-0
CAS Name: naphthalene-1,2-dicarbonitrile
OPENEYE Name: naphthalene-1,2-dicarbonitrile
IUPAC Name: naphthalene-1,2-dicarbonitrile
SYSTEMATIC NAME: naphthalene-1,2-dicarbonitrile
MOLECULAR FORMULA: C12H6N2
MOLECULAR WEIGHT: 178.18944
SMILES: C1=CC=C2C(=C1)C=CC(=C2C#N)C#N
Structure:
CAS RN: 66387-70-0
CAS Name: 6-bromo-2-phenyl-3,1-benzoxazin-4-one
OPENEYE Name: 6-bromo-2-phenyl-3,1-benzoxazin-4-one
IUPAC Name: 6-bromo-2-phenyl-3,1-benzoxazin-4-one
SYSTEMATIC NAME: 6-bromanyl-2-phenyl-3,1-benzoxazin-4-one
MOLECULAR FORMULA: C14H8BrNO2
MOLECULAR WEIGHT: 302.12282
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)O2
Structure:
CAS RN: 57862-46-1
CAS Name: 4-[(2,4-dinitrophenyl)methylideneamino]-N,N-dimethylaniline
OPENEYE Name: 4-[(2,4-dinitrophenyl)methyleneamino]-N,N-dimethyl-aniline
IUPAC Name: 4-[(2,4-dinitrophenyl)methylideneamino]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(2,4-dinitrophenyl)methylideneamino]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C15H14N4O4
MOLECULAR WEIGHT: 314.29606
SMILES: CN(C)C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 56511-50-3
CAS Name: 3-methoxy-N,N-bis(phenylmethyl)aniline
OPENEYE Name: N,N-dibenzyl-3-methoxy-aniline
IUPAC Name: N,N-dibenzyl-3-methoxyaniline
SYSTEMATIC NAME: 3-methoxy-N,N-bis(phenylmethyl)aniline
MOLECULAR FORMULA: C21H21NO
MOLECULAR WEIGHT: 303.39754
SMILES: COC1=CC=CC(=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 92166-40-0
CAS Name: N-[2-(hydrazinecarbonyl)phenyl]benzamide
OPENEYE Name: N-[2-(hydrazinecarbonyl)phenyl]benzamide
IUPAC Name: N-[2-(hydrazinecarbonyl)phenyl]benzamide
SYSTEMATIC NAME: N-[2-(aminocarbamoyl)phenyl]benzamide
MOLECULAR FORMULA: C14H13N3O2
MOLECULAR WEIGHT: 255.27192
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN
Structure:
CAS RN: 20176-11-8
CAS Name: 2-naphthalenecarboxylic acid [2-naphthalenyl(oxo)methyl] ester
OPENEYE Name: naphthalene-2-carbonyl naphthalene-2-carboxylate
IUPAC Name: naphthalene-2-carbonyl naphthalene-2-carboxylate
SYSTEMATIC NAME: naphthalen-2-ylcarbonyl naphthalene-2-carboxylate
MOLECULAR FORMULA: C22H14O3
MOLECULAR WEIGHT: 326.34476
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)OC(=O)C3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 64985-86-0
CAS Name: 1-naphthalenecarboxylic acid [1-naphthalenyl(oxo)methyl] ester
OPENEYE Name: naphthalene-1-carbonyl naphthalene-1-carboxylate
IUPAC Name: naphthalene-1-carbonyl naphthalene-1-carboxylate
SYSTEMATIC NAME: naphthalen-1-ylcarbonyl naphthalene-1-carboxylate
MOLECULAR FORMULA: C22H14O3
MOLECULAR WEIGHT: 326.34476
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)OC(=O)C3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 80894-36-6
CAS Name: 1-amino-3-undecylurea
OPENEYE Name: 1-amino-3-undecyl-urea
IUPAC Name: 1-amino-3-undecylurea
SYSTEMATIC NAME: 1-azanyl-3-undecyl-urea
MOLECULAR FORMULA: C12H27N3O
MOLECULAR WEIGHT: 229.36228
SMILES: CCCCCCCCCCCNC(=O)NN
Structure:
CAS RN: 33609-48-2
CAS Name: (3,4-dinitrophenyl)-phenylmethanone
OPENEYE Name: (3,4-dinitrophenyl)-phenyl-methanone
IUPAC Name: (3,4-dinitrophenyl)-phenylmethanone
SYSTEMATIC NAME: (3,4-dinitrophenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H8N2O5
MOLECULAR WEIGHT: 272.21302
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 51971-63-2
CAS Name: 4,5-dibromoisobenzofuran-1,3-dione
OPENEYE Name: 4,5-dibromoisobenzofuran-1,3-dione
IUPAC Name: 4,5-dibromo-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4,5-bis(bromanyl)-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C8H2Br2O3
MOLECULAR WEIGHT: 305.90768
SMILES: C1=CC(=C(C2=C1C(=O)OC2=O)Br)Br
Structure:
CAS RN: 3551-77-7
CAS Name: 4-[[2-(4-ethoxycarbonylanilino)-1,2-dioxoethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[2-(4-ethoxycarbonylanilino)-2-oxo-acetyl]amino]benzoate
IUPAC Name: ethyl 4-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethanoyl]amino]benzoate
MOLECULAR FORMULA: C20H20N2O6
MOLECULAR WEIGHT: 384.3826
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NC2=CC=C(C=C2)C(=O)OCC
Structure:
CAS RN: 88260-43-9
CAS Name: 2,5-bis(4-chlorophenyl)benzene-1,4-diol
OPENEYE Name: 2,5-bis(4-chlorophenyl)benzene-1,4-diol
IUPAC Name: 2,5-bis(4-chlorophenyl)benzene-1,4-diol
SYSTEMATIC NAME: 2,5-bis(4-chlorophenyl)benzene-1,4-diol
MOLECULAR FORMULA: C18H12Cl2O2
MOLECULAR WEIGHT: 331.19268
SMILES: C1=CC(=CC=C1C2=CC(=C(C=C2O)C3=CC=C(C=C3)Cl)O)Cl
Structure:
CAS RN: 30843-98-2
CAS Name: N-(9-anthracenylmethylideneamino)aniline
OPENEYE Name: N-(9-anthrylmethyleneamino)aniline
IUPAC Name: N-(anthracen-9-ylmethylideneamino)aniline
SYSTEMATIC NAME: N-(anthracen-9-ylmethylideneamino)aniline
MOLECULAR FORMULA: C21H16N2
MOLECULAR WEIGHT: 296.36514
SMILES: C1=CC=C(C=C1)NN=CC2=C3C=CC=CC3=CC4=CC=CC=C42
Structure:
CAS RN: 18055-65-7
CAS Name: diethyl-bis[2-(2-pyridinyl)ethoxy]silane
OPENEYE Name: diethyl-bis[2-(2-pyridyl)ethoxy]silane
IUPAC Name: diethyl-bis(2-pyridin-2-ylethoxy)silane
SYSTEMATIC NAME: diethyl-bis(2-pyridin-2-ylethoxy)silane
MOLECULAR FORMULA: C18H26N2O2Si
MOLECULAR WEIGHT: 330.49674
SMILES: CC[Si](CC)(OCCC1=CC=CC=N1)OCCC2=CC=CC=N2
Structure:
CAS RN: 18586-40-8
CAS Name: diethyl-bis[3-(2-pyridinyl)propoxy]silane
OPENEYE Name: diethyl-bis[3-(2-pyridyl)propoxy]silane
IUPAC Name: diethyl-bis(3-pyridin-2-ylpropoxy)silane
SYSTEMATIC NAME: diethyl-bis(3-pyridin-2-ylpropoxy)silane
MOLECULAR FORMULA: C20H30N2O2Si
MOLECULAR WEIGHT: 358.5499
SMILES: CC[Si](CC)(OCCCC1=CC=CC=N1)OCCCC2=CC=CC=N2
Structure:
CAS RN: 22198-59-0
CAS Name: 3-(phenylthio)propanoic acid methyl ester
OPENEYE Name: methyl 3-phenylsulfanylpropanoate
IUPAC Name: methyl 3-phenylsulfanylpropanoate
SYSTEMATIC NAME: methyl 3-phenylsulfanylpropanoate
MOLECULAR FORMULA: C10H12O2S
MOLECULAR WEIGHT: 196.26608
SMILES: COC(=O)CCSC1=CC=CC=C1
Structure:
CAS RN: 17640-29-8
CAS Name: 2-(ethylthio)acetic acid ethyl ester
OPENEYE Name: ethyl 2-ethylsulfanylacetate
IUPAC Name: ethyl 2-ethylsulfanylacetate
SYSTEMATIC NAME: ethyl 2-ethylsulfanylethanoate
MOLECULAR FORMULA: C6H12O2S
MOLECULAR WEIGHT: 148.22328
SMILES: CCOC(=O)CSCC
Structure:
CAS RN: 45208-12-6
CAS Name: (dodecylamino)phosphonic acid
OPENEYE Name: (dodecylamino)phosphonic acid
IUPAC Name: (dodecylamino)phosphonic acid
SYSTEMATIC NAME: (dodecylamino)phosphonic acid
MOLECULAR FORMULA: C12H28NO3P
MOLECULAR WEIGHT: 265.329381
SMILES: CCCCCCCCCCCCNP(=O)(O)O
Structure:
CAS RN: 2867-06-3
CAS Name: 2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]acetate
IUPAC Name: ethyl 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]ethanoate
MOLECULAR FORMULA: C18H26N2O5
MOLECULAR WEIGHT: 350.40944
SMILES: CCOC(=O)CNC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 40814-21-9
CAS Name: 2-(heptylthio)acetic acid ethyl ester
OPENEYE Name: ethyl 2-heptylsulfanylacetate
IUPAC Name: ethyl 2-heptylsulfanylacetate
SYSTEMATIC NAME: ethyl 2-heptylsulfanylethanoate
MOLECULAR FORMULA: C11H22O2S
MOLECULAR WEIGHT: 218.35618
SMILES: CCCCCCCSCC(=O)OCC
Structure:
CAS RN: 18586-41-9
CAS Name: diethyl-bis(3-pyridin-4-ylpropoxy)silane
OPENEYE Name: diethyl-bis[3-(4-pyridyl)propoxy]silane
IUPAC Name: diethyl-bis(3-pyridin-4-ylpropoxy)silane
SYSTEMATIC NAME: diethyl-bis(3-pyridin-4-ylpropoxy)silane
MOLECULAR FORMULA: C20H30N2O2Si
MOLECULAR WEIGHT: 358.5499
SMILES: CC[Si](CC)(OCCCC1=CC=NC=C1)OCCCC2=CC=NC=C2
Structure:
CAS RN: 64190-23-4
CAS Name: N,N-dimethyl-8-pentadecanamine
OPENEYE Name: N,N-dimethylpentadecan-8-amine
IUPAC Name: N,N-dimethylpentadecan-8-amine
SYSTEMATIC NAME: N,N-dimethylpentadecan-8-amine
MOLECULAR FORMULA: C17H37N
MOLECULAR WEIGHT: 255.48238
SMILES: CCCCCCCC(CCCCCCC)N(C)C
Structure:
CAS RN: 13373-29-0
CAS Name: 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl 2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: CCOC(=O)C(=CC1=CC(=C(C=C1)O)OC)C#N
Structure:
CAS RN: 5728-65-4
CAS Name: 4-(2-phenylphenyl)aniline
OPENEYE Name: 4-(2-phenylphenyl)aniline
IUPAC Name: 4-(2-phenylphenyl)aniline
SYSTEMATIC NAME: 4-(2-phenylphenyl)aniline
MOLECULAR FORMULA: C18H15N
MOLECULAR WEIGHT: 245.3184
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=C(C=C3)N
Structure:
CAS RN: 51792-85-9
CAS Name: 2-nitro-1,4-bis(phenylmethoxy)benzene
OPENEYE Name: 1,4-dibenzyloxy-2-nitro-benzene
IUPAC Name: 2-nitro-1,4-bis(phenylmethoxy)benzene
SYSTEMATIC NAME: 2-nitro-1,4-bis(phenylmethoxy)benzene
MOLECULAR FORMULA: C20H17NO4
MOLECULAR WEIGHT: 335.35328
SMILES: C1=CC=C(C=C1)COC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 50997-13-2
CAS Name: 2-(nonylamino)acetic acid
OPENEYE Name: 2-(nonylamino)acetic acid
IUPAC Name: 2-(nonylamino)acetic acid
SYSTEMATIC NAME: 2-(nonylamino)ethanoic acid
MOLECULAR FORMULA: C11H23NO2
MOLECULAR WEIGHT: 201.30582
SMILES: CCCCCCCCCNCC(=O)O
Structure:
CAS RN: 52478-47-4
CAS Name: 2-(octylamino)acetic acid
OPENEYE Name: 2-(octylamino)acetic acid
IUPAC Name: 2-(octylamino)acetic acid
SYSTEMATIC NAME: 2-(octylamino)ethanoic acid
MOLECULAR FORMULA: C10H21NO2
MOLECULAR WEIGHT: 187.27924
SMILES: CCCCCCCCNCC(=O)O
Structure:
CAS RN: 5253-21-4
CAS Name: 3,3-bis(4-hydroxy-3-phenylphenyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(4-hydroxy-3-phenyl-phenyl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(4-hydroxy-3-phenylphenyl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(4-oxidanyl-3-phenyl-phenyl)-2-benzofuran-1-one
MOLECULAR FORMULA: C32H22O4
MOLECULAR WEIGHT: 470.51468
SMILES: C1=CC=C(C=C1)C2=C(C=CC(=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O
Structure:
CAS RN: 84627-12-3
CAS Name: 3,3-bis(4-hydroxy-3-phenylphenyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(4-hydroxy-3-phenyl-phenyl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(4-hydroxy-3-phenylphenyl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(4-oxidanyl-3-phenyl-phenyl)-2-benzofuran-1-one
MOLECULAR FORMULA: C32H22O4
MOLECULAR WEIGHT: 470.51468
SMILES: C1=CC=C(C=C1)C2=C(C=CC(=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O
Structure:
CAS RN: 60366-37-2
CAS Name: 1-(4-nitrophenyl)-2-phenylbenzene
OPENEYE Name: 1-(4-nitrophenyl)-2-phenyl-benzene
IUPAC Name: 1-(4-nitrophenyl)-2-phenylbenzene
SYSTEMATIC NAME: 1-(4-nitrophenyl)-2-phenyl-benzene
MOLECULAR FORMULA: C18H13NO2
MOLECULAR WEIGHT: 275.30132
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 7390-41-2
CAS Name: 2,5-bis(prop-2-enyl)benzene-1,4-diol
OPENEYE Name: 2,5-diallylbenzene-1,4-diol
IUPAC Name: 2,5-bis(prop-2-enyl)benzene-1,4-diol
SYSTEMATIC NAME: 2,5-bis(prop-2-enyl)benzene-1,4-diol
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: C=CCC1=CC(=C(C=C1O)CC=C)O
Structure:
CAS RN: 7330-76-9
CAS Name: 2,3-bis(prop-2-enyl)benzene-1,4-diol
OPENEYE Name: 2,3-diallylbenzene-1,4-diol
IUPAC Name: 2,3-bis(prop-2-enyl)benzene-1,4-diol
SYSTEMATIC NAME: 2,3-bis(prop-2-enyl)benzene-1,4-diol
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: C=CCC1=C(C=CC(=C1CC=C)O)O
Structure:
CAS RN: 53006-55-6
CAS Name: 4-(3-methyl-1-pyrazolyl)aniline
OPENEYE Name: 4-(3-methylpyrazol-1-yl)aniline
IUPAC Name: 4-(3-methylpyrazol-1-yl)aniline
SYSTEMATIC NAME: 4-(3-methylpyrazol-1-yl)aniline
MOLECULAR FORMULA: C10H11N3
MOLECULAR WEIGHT: 173.21444
SMILES: CC1=NN(C=C1)C2=CC=C(C=C2)N
Structure:
CAS RN: 70553-81-0
CAS Name: carbonic acid 4-ethoxycarbonyloxybutyl ethyl ester
OPENEYE Name: 4-ethoxycarbonyloxybutyl ethyl carbonate
IUPAC Name: 4-ethoxycarbonyloxybutyl ethyl carbonate
SYSTEMATIC NAME: 4-ethoxycarbonyloxybutyl ethyl carbonate
MOLECULAR FORMULA: C10H18O6
MOLECULAR WEIGHT: 234.24632
SMILES: CCOC(=O)OCCCCOC(=O)OCC
Structure:
CAS RN: 1830-02-0
CAS Name: benzene-1,4-dicarboxylic acid bis(2-ethoxy-2-oxoethyl) ester
OPENEYE Name: bis(2-ethoxy-2-oxo-ethyl) benzene-1,4-dicarboxylate
IUPAC Name: bis(2-ethoxy-2-oxoethyl) benzene-1,4-dicarboxylate
SYSTEMATIC NAME: bis(2-ethoxy-2-oxidanylidene-ethyl) benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C16H18O8
MOLECULAR WEIGHT: 338.30932
SMILES: CCOC(=O)COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)OCC
Structure:
CAS RN: 13544-77-9
CAS Name: 2,5-dihydroxyhexanedioic acid
OPENEYE Name: 2,5-dihydroxyhexanedioic acid
IUPAC Name: 2,5-dihydroxyhexanedioic acid
SYSTEMATIC NAME: 2,5-bis(oxidanyl)hexanedioic acid
MOLECULAR FORMULA: C6H10O6
MOLECULAR WEIGHT: 178.14
SMILES: C(CC(C(=O)O)O)C(C(=O)O)O
Structure:
CAS RN: 13592-40-0
CAS Name: N-[4-[ethoxycarbonyl(methyl)amino]phenyl]-N-methylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-[4-[ethoxycarbonyl(methyl)amino]phenyl]-N-methyl-carbamate
IUPAC Name: ethyl N-[4-[ethoxycarbonyl(methyl)amino]phenyl]-N-methylcarbamate
SYSTEMATIC NAME: ethyl N-[4-[ethoxycarbonyl(methyl)amino]phenyl]-N-methyl-carbamate
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CCOC(=O)N(C)C1=CC=C(C=C1)N(C)C(=O)OCC
Structure:
CAS RN: 999-37-1
CAS Name: 2-[[(dodecylamino)-oxomethyl]amino]acetic acid
OPENEYE Name: 2-(dodecylcarbamoylamino)acetic acid
IUPAC Name: 2-(dodecylcarbamoylamino)acetic acid
SYSTEMATIC NAME: 2-(dodecylcarbamoylamino)ethanoic acid
MOLECULAR FORMULA: C15H30N2O3
MOLECULAR WEIGHT: 286.4103
SMILES: CCCCCCCCCCCCNC(=O)NCC(=O)O
Structure:
CAS RN: 59670-14-3
CAS Name: N-methyl-N-[(3-methylphenyl)methylideneamino]aniline
OPENEYE Name: N-methyl-N-(m-tolylmethyleneamino)aniline
IUPAC Name: N-methyl-N-[(3-methylphenyl)methylideneamino]aniline
SYSTEMATIC NAME: N-methyl-N-[(3-methylphenyl)methylideneamino]aniline
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CC1=CC=CC(=C1)C=NN(C)C2=CC=CC=C2
Structure:
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