ethyl 2-[(3-nitrophenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: ethyl 2-[(3-nitrophenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: ethyl 2-[(3-nitrophenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-[(3-nitrophenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-nitrophenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-(3-nitrobenzyl)-4H-isoquinoline-4-carboxylic acid ethyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6/c1-2-27-19(24)16-14-8-3-4-9-15(14)17(22)20(18(16)23)11-12-6-5-7-13(10-12)21(25)26/h3-10,16H,2,11H2,1H3