[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C(C)NC(=O)C2=CC=CC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)[C@H](C)NC(=O)C2=CC=CC=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7/c1-12-9-16(23(27)28)17(29-3)10-15(12)22-18(24)11-30-20(26)13(2)21-19(25)14-7-5-4-6-8-14/h4-10,13H,11H2,1-3H3,(H,21,25)(H,22,24)/t13-/m0/s1