[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-methyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-methyl-5-nitro-pyridine-3-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 2-methyl-5-nitro-pyridine-3-carboxylate CAS Name: 2-methyl-5-nitro-3-pyridinecarboxylic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-methyl-5-nitropyridine-3-carboxylate Traditional Name: 2-methyl-5-nitro-nicotinic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H14ClN3O5 MolecularWeight: 363.75246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O5/c1-10-14(6-13(8-18-10)20(23)24)16(22)25-9-15(21)19-7-11-2-4-12(17)5-3-11/h2-6,8H,7,9H2,1H3,(H,19,21)