[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-[(2-methoxybenzoyl)amino]propanoate CAS Name: 3-[[(2-methoxyphenyl)-oxomethyl]amino]propanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)propionic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)C2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)C2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13-7-8-14(11-16(13)22(26)27)17(23)12-29-19(24)9-10-21-20(25)15-5-3-4-6-18(15)28-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)