[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C15H10N4O5 MolecularWeight: 326.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O5/c16-7-11-6-12(19(22)23)3-4-13(11)18-14(20)9-24-15(21)10-2-1-5-17-8-10/h1-6,8H,9H2,(H,18,20)