(phenylmethyl) 3-nitroquinoline-4-carboxylate

Systemtic Name: (phenylmethyl) 3-nitroquinoline-4-carboxylate Openeye Name: benzyl 3-nitroquinoline-4-carboxylate CAS Name: 3-nitro-4-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-nitroquinoline-4-carboxylate Traditional Name: 3-nitrocinchoninic acid benzyl ester Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4/c20-17(23-11-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)18-10-15(16)19(21)22/h1-10H,11H2