[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

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