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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate CAS Name: 2-(2-methoxyanilino)-3-pyridinecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(o-anisidino)nicotinic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H17ClN4O6 MolecularWeight: 456.83588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN4O6/c1-31-18-7-3-2-6-17(18)25-20-14(5-4-10-23-20)21(28)32-12-19(27)24-16-9-8-13(26(29)30)11-15(16)22/h2-11H,12H2,1H3,(H,23,25)(H,24,27)