[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-phenyl-pyridine-3-carboxylate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-phenyl-pyridine-3-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate CAS Name: 2-methyl-6-phenyl-3-pyridinecarboxylic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate Traditional Name: 2-methyl-6-phenyl-nicotinic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H18ClN3O5/c1-13-17(9-11-19(24-13)15-6-4-3-5-7-15)22(28)31-14(2)21(27)25-20-10-8-16(26(29)30)12-18(20)23/h3-12,14H,1-2H3,(H,25,27)