[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C23H27N3O7/c1-13(2)20(25-22(28)16-8-6-14(3)7-9-16)23(29)33-15(4)21(27)24-18-12-17(26(30)31)10-11-19(18)32-5/h6-13,15,20H,1-5H3,(H,24,27)(H,25,28)