2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: 2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinecarboxylate IUPAC Name: 2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carboxylate Formula: C18H14NO3- MolecularWeight: 292.30866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)[O-])C

InChI

InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-10-16(18(21)22)14-5-3-4-6-15(14)17(19)20/h3-10H,1-2H3,(H,21,22)/p-1