[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C14H11N3O5 MolecularWeight: 301.25424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5/c18-13(9-22-14(19)10-2-1-7-15-8-10)16-11-3-5-12(6-4-11)17(20)21/h1-8H,9H2,(H,16,18)