[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7/c1-13(24)21-16(14-6-4-3-5-7-14)11-20(26)30-12-19(25)22-17-10-15(23(27)28)8-9-18(17)29-2/h3-10,16H,11-12H2,1-2H3,(H,21,24)(H,22,25)/t16-/m1/s1