[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamido-3-phenyl-propanoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamido-3-phenyl-propanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C25H22ClN3O6 MolecularWeight: 495.91168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H22ClN3O6/c1-16(24(31)28-22-14-19(29(33)34)12-13-20(22)26)35-23(30)15-21(17-8-4-2-5-9-17)27-25(32)18-10-6-3-7-11-18/h2-14,16,21H,15H2,1H3,(H,27,32)(H,28,31)