hexyl 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: hexyl 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: hexyl 2-(3-nitrophenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-(3-nitrophenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylic acid hexyl ester IUPAC Name: hexyl 2-(3-nitrophenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-(3-nitrophenyl)-4H-isoquinoline-4-carboxylic acid hexyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6/c1-2-3-4-7-13-30-22(27)19-17-11-5-6-12-18(17)20(25)23(21(19)26)15-9-8-10-16(14-15)24(28)29/h5-6,8-12,14,19H,2-4,7,13H2,1H3