9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-8-oxidanylidene-6,7-dihydro-5H-carbazole-2-carboxylic acid

Systemtic Name: 9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-8-oxidanylidene-6,7-dihydro-5H-carbazole-2-carboxylic acid Openeye Name: 9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-8-oxo-6,7-dihydro-5H-carbazole-2-carboxylic acid CAS Name: 9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-8-oxo-6,7-dihydro-5H-carbazole-2-carboxylic acid IUPAC Name: 9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-8-oxo-6,7-dihydro-5H-carbazole-2-carboxylic acid Traditional Name: 9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-8-keto-6,7-dihydro-5H-carbazole-2-carboxylic acid Formula: C21H16ClNO5 MolecularWeight: 397.80844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)N(C3=C2C=CC(=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CC2=C(C(=O)C1)N(C3=C2C=CC(=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C21H16ClNO5/c22-15-8-19-18(27-10-28-19)7-12(15)9-23-16-6-11(21(25)26)4-5-13(16)14-2-1-3-17(24)20(14)23/h4-8H,1-3,9-10H2,(H,25,26)