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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1=O)C3=C(N2CC4=CC5=C(C=C4Cl)OCO5)C=C(C=C3)C(=O)O

Isomeric SMILES

C1CC2=C(CC1=O)C3=C(N2CC4=CC5=C(C=C4Cl)OCO5)C=C(C=C3)C(=O)O

InChI

InChI=1S/C21H16ClNO5/c22-16-8-20-19(27-10-28-20)6-12(16)9-23-17-4-2-13(24)7-15(17)14-3-1-11(21(25)26)5-18(14)23/h1,3,5-6,8H,2,4,7,9-10H2,(H,25,26)