[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17Cl2N3O6 MolecularWeight: 454.26078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H17Cl2N3O6/c1-11(25)22-16(12-2-4-13(20)5-3-12)9-19(27)30-10-18(26)23-15-7-6-14(21)8-17(15)24(28)29/h2-8,16H,9-10H2,1H3,(H,22,25)(H,23,26)