[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C20H21N3O6/c1-13-7-6-10-17(23(27)28)20(13)22-18(25)12-29-19(26)11-16(21-14(2)24)15-8-4-3-5-9-15/h3-10,16H,11-12H2,1-2H3,(H,21,24)(H,22,25)/t16-/m1/s1