[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(dimethylamino)pyridine-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(dimethylamino)pyridine-4-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-(dimethylamino)pyridine-4-carboxylate CAS Name: 2-(dimethylamino)-4-pyridinecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-(dimethylamino)pyridine-4-carboxylate Traditional Name: 2-(dimethylamino)isonicotinic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H19ClN4O5 MolecularWeight: 454.86306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C1=NC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN4O5/c1-26(2)19-12-15(10-11-24-19)22(29)32-20(14-6-4-3-5-7-14)21(28)25-18-9-8-16(27(30)31)13-17(18)23/h3-13,20H,1-2H3,(H,25,28)