[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H16ClN3O5 MolecularWeight: 377.77904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O5/c1-20(2)13-6-3-11(4-7-13)17(23)26-10-16(22)19-14-9-12(18)5-8-15(14)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)