[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-[(2-methoxybenzoyl)amino]propanoate CAS Name: 3-[[(2-methoxyphenyl)-oxomethyl]amino]propanoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)propionic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCNC(=O)C2=CC=CC=C2OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCNC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C20H21N3O7/c1-13(19(25)22-15-8-4-5-9-16(15)23(27)28)30-18(24)11-12-21-20(26)14-7-3-6-10-17(14)29-2/h3-10,13H,11-12H2,1-2H3,(H,21,26)(H,22,25)/t13-/m0/s1