CAS RN: 57897-24-2
CAS Name: 6,7,8-trimethoxy-2,3a,4,5-tetrahydrobenzo[g]indazol-3-one
OPENEYE Name: 6,7,8-trimethoxy-2,3a,4,5-tetrahydrobenzo[g]indazol-3-one
IUPAC Name: 6,7,8-trimethoxy-2,3a,4,5-tetrahydrobenzo[g]indazol-3-one
SYSTEMATIC NAME: 6,7,8-trimethoxy-2,3a,4,5-tetrahydrobenzo[g]indazol-3-one
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: COC1=C(C(=C2CCC3C(=NNC3=O)C2=C1)OC)OC
Structure:
CAS RN: 57897-19-5
CAS Name: 6,7,8-trimethoxy-4,5-dihydro-1H-benzo[g]indazole
OPENEYE Name: 6,7,8-trimethoxy-4,5-dihydro-1H-benzo[g]indazole
IUPAC Name: 6,7,8-trimethoxy-4,5-dihydro-1H-benzo[g]indazole
SYSTEMATIC NAME: 6,7,8-trimethoxy-4,5-dihydro-1H-benzo[g]indazole
MOLECULAR FORMULA: C14H16N2O3
MOLECULAR WEIGHT: 260.28844
SMILES: COC1=C(C(=C2CCC3=C(C2=C1)NN=C3)OC)OC
Structure:
CAS RN: 20875-63-2
CAS Name: 5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 5,6,7-trimethoxytetralin-1-one
IUPAC Name: 5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: COC1=C(C(=C2CCCC(=O)C2=C1)OC)OC
Structure:
CAS RN: 57901-46-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: CC12CCC3C(C1CCC2=O)CCC4C3(CC5CC(=O)OC5C4)C
Structure:
CAS RN: 57901-49-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O2
MOLECULAR WEIGHT: 328.48828
SMILES: CC1(CCC2=C1CCC3C2CCC4C3(CC5CC(=O)OC5C4)C)C
Structure:
CAS RN: 63506-92-3
CAS Name: 5,5-dimethyl-3-methylene-4-phenyl-2-oxolanone
OPENEYE Name: 5,5-dimethyl-3-methylene-4-phenyl-tetrahydrofuran-2-one
IUPAC Name: 5,5-dimethyl-3-methylidene-4-phenyloxolan-2-one
SYSTEMATIC NAME: 5,5-dimethyl-3-methylidene-4-phenyl-oxolan-2-one
MOLECULAR FORMULA: C13H14O2
MOLECULAR WEIGHT: 202.24906
SMILES: CC1(C(C(=C)C(=O)O1)C2=CC=CC=C2)C
Structure:
CAS RN: 56640-93-8
CAS Name: 2-[2-(2-cyanophenyl)-1,3,5,7-tetraoxo-6-pyrrolo[3,4-f]isoindolyl]benzonitrile
OPENEYE Name: 2-[2-(2-cyanophenyl)-1,3,5,7-tetraoxo-pyrrolo[3,4-f]isoindol-6-yl]benzonitrile
IUPAC Name: 2-[2-(2-cyanophenyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]benzonitrile
SYSTEMATIC NAME: 2-[2-(2-cyanophenyl)-1,3,5,7-tetrakis(oxidanylidene)pyrrolo[3,4-f]isoindol-6-yl]benzenecarbonitrile
MOLECULAR FORMULA: C24H10N4O4
MOLECULAR WEIGHT: 418.3606
SMILES: C1=CC=C(C(=C1)C#N)N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)C5=CC=CC=C5C#N
Structure:
CAS RN: 16529-06-9
CAS Name: 2-(1H-benzimidazol-2-yl)benzoic acid
OPENEYE Name: 2-(1H-benzimidazol-2-yl)benzoic acid
IUPAC Name: 2-(1H-benzimidazol-2-yl)benzoic acid
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)benzoic acid
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)C(=O)O
Structure:
CAS RN: 18257-54-0
CAS Name: 2-[(2-carbamoylanilino)-oxomethyl]benzoic acid
OPENEYE Name: 2-[(2-carbamoylphenyl)carbamoyl]benzoic acid
IUPAC Name: 2-[(2-carbamoylphenyl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[(2-aminocarbonylphenyl)carbamoyl]benzoic acid
MOLECULAR FORMULA: C15H12N2O4
MOLECULAR WEIGHT: 284.26678
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2C(=O)N)C(=O)O
Structure:
CAS RN: 93305-00-1
CAS Name: 3-(3-nitrophenyl)imino-1-isobenzofuranone
OPENEYE Name: 3-(3-nitrophenyl)iminoisobenzofuran-1-one
IUPAC Name: 3-(3-nitrophenyl)imino-2-benzofuran-1-one
SYSTEMATIC NAME: 3-(3-nitrophenyl)imino-2-benzofuran-1-one
MOLECULAR FORMULA: C14H8N2O4
MOLECULAR WEIGHT: 268.22432
SMILES: C1=CC=C2C(=C1)C(=NC3=CC(=CC=C3)[N+](=O)[O-])OC2=O
Structure:
CAS RN: 19022-06-1
CAS Name: 2-(3,5-dinitrophenyl)-1H-benzimidazole
OPENEYE Name: 2-(3,5-dinitrophenyl)-1H-benzimidazole
IUPAC Name: 2-(3,5-dinitrophenyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(3,5-dinitrophenyl)-1H-benzimidazole
MOLECULAR FORMULA: C13H8N4O4
MOLECULAR WEIGHT: 284.22702
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 16524-10-0
CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid
OPENEYE Name: 2-[(3,5-dinitrobenzoyl)amino]benzoic acid
IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]benzoic acid
SYSTEMATIC NAME: 2-[(3,5-dinitrophenyl)carbonylamino]benzoic acid
MOLECULAR FORMULA: C14H9N3O7
MOLECULAR WEIGHT: 331.23716
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 64372-69-6
CAS Name: acetic acid [3,4-diacetyloxy-5-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18N4O8
MOLECULAR WEIGHT: 394.33612
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=NC=NC(=O)C3=CN2)OC(=O)C)OC(=O)C
Structure:
CAS RN: 61228-60-2
CAS Name: 3,3,7a-trimethyl-4-methylene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[b]pentalene-3b,5,7-triol
OPENEYE Name: 3,3,7a-trimethyl-4-methylene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[b]pentalene-3b,5,7-triol
IUPAC Name: 3,3,7a-trimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[b]pentalene-3b,5,7-triol
SYSTEMATIC NAME: 3,3,7a-trimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[b]pentalene-3b,5,7-triol
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: CC1(CCC2(C1C3(C(C2O)CC(C3=C)O)O)C)C
Structure:
CAS RN: 66777-02-4
CAS Name: 2-chloro-5,6-dimethoxy-3-(octylthio)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-chloro-5,6-dimethoxy-3-octylsulfanyl-1,4-benzoquinone
IUPAC Name: 2-chloro-5,6-dimethoxy-3-octylsulfanylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-5,6-dimethoxy-3-octylsulfanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C16H23ClO4S
MOLECULAR WEIGHT: 346.86942
SMILES: CCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl
Structure:
CAS RN: 13118-15-5
CAS Name: 2-(4-morpholinyl)-3-phenyl-1-indenone
OPENEYE Name: 2-morpholino-3-phenyl-inden-1-one
IUPAC Name: 2-morpholin-4-yl-3-phenylinden-1-one
SYSTEMATIC NAME: 2-morpholin-4-yl-3-phenyl-inden-1-one
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: C1COCCN1C2=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4
Structure:
CAS RN: 37528-66-8
CAS Name: 2,3-dibromo-3-phenyl-2H-inden-1-one
OPENEYE Name: 2,3-dibromo-3-phenyl-indan-1-one
IUPAC Name: 2,3-dibromo-3-phenyl-2H-inden-1-one
SYSTEMATIC NAME: 2,3-bis(bromanyl)-3-phenyl-2H-inden-1-one
MOLECULAR FORMULA: C15H10Br2O
MOLECULAR WEIGHT: 366.0473
SMILES: C1=CC=C(C=C1)C2(C(C(=O)C3=CC=CC=C32)Br)Br
Structure:
CAS RN: 17329-27-0
CAS Name: 2-(4-aminophenyl)-1H-quinazolin-4-one
OPENEYE Name: 2-(4-aminophenyl)-1H-quinazolin-4-one
IUPAC Name: 2-(4-aminophenyl)-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-(4-aminophenyl)-1H-quinazolin-4-one
MOLECULAR FORMULA: C14H11N3O
MOLECULAR WEIGHT: 237.25664
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)C3=CC=C(C=C3)N
Structure:
CAS RN: 7521-84-8
CAS Name: 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphospholidine-4-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphospholidine-4-carboxylate
IUPAC Name: ethyl 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphospholidine-4-carboxylate
SYSTEMATIC NAME: ethyl 2-[bis(2-chloroethyl)amino]-2-oxidanylidene-1,3,2$l^{5}-oxazaphospholidine-4-carboxylate
MOLECULAR FORMULA: C9H17Cl2N2O4P
MOLECULAR WEIGHT: 319.122041
SMILES: CCOC(=O)C1COP(=O)(N1)N(CCCl)CCCl
Structure:
CAS RN: 20077-15-0
CAS Name: 2-bromo-10,10-dioxo-9-thioxanthenone
OPENEYE Name: 2-bromo-10,10-dioxo-thioxanthen-9-one
IUPAC Name: 2-bromo-10,10-dioxothioxanthen-9-one
SYSTEMATIC NAME: 2-bromanyl-10,10-bis(oxidanylidene)thioxanthen-9-one
MOLECULAR FORMULA: C13H7BrO3S
MOLECULAR WEIGHT: 323.16188
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=CC(=C3)Br
Structure:
CAS RN: 20077-10-5
CAS Name: 2-bromo-9-thioxanthenone
OPENEYE Name: 2-bromothioxanthen-9-one
IUPAC Name: 2-bromothioxanthen-9-one
SYSTEMATIC NAME: 2-bromanylthioxanthen-9-one
MOLECULAR FORMULA: C13H7BrOS
MOLECULAR WEIGHT: 291.16308
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Br
Structure:
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