(phenylmethyl) 3-nitro-4-oxidanylidene-quinoline-1-carboxylate

Systemtic Name: (phenylmethyl) 3-nitro-4-oxidanylidene-quinoline-1-carboxylate Openeye Name: benzyl 3-nitro-4-oxo-quinoline-1-carboxylate CAS Name: 3-nitro-4-oxo-1-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-nitro-4-oxoquinoline-1-carboxylate Traditional Name: 4-keto-3-nitro-quinoline-1-carboxylic acid benzyl ester Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=C(C(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=C(C(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O5/c20-16-13-8-4-5-9-14(13)18(10-15(16)19(22)23)17(21)24-11-12-6-2-1-3-7-12/h1-10H,11H2