ethyl 2-(4-ethoxycarbonylphenyl)-4-oxidanyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: ethyl 2-(4-ethoxycarbonylphenyl)-4-oxidanyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: ethyl 2-(4-ethoxycarbonylphenyl)-4-hydroxy-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 2-(4-ethoxycarbonylphenyl)-4-hydroxy-1,3-dioxo-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxycarbonylphenyl)-4-hydroxy-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 2-(4-carbethoxyphenyl)-4-hydroxy-1,3-diketo-isoquinoline-4-carboxylic acid ethyl ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(C2=O)(C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(C2=O)(C(=O)OCC)O

InChI

InChI=1S/C21H19NO7/c1-3-28-18(24)13-9-11-14(12-10-13)22-17(23)15-7-5-6-8-16(15)21(27,19(22)25)20(26)29-4-2/h5-12,27H,3-4H2,1-2H3