[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-13(21(27)23-17-6-4-5-7-19(17)24(28)29)31-20(26)12-18(22-14(2)25)15-8-10-16(30-3)11-9-15/h4-11,13,18H,12H2,1-3H3,(H,22,25)(H,23,27)