[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C26H25N3O7 MolecularWeight: 491.4926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2NC(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2NC(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H25N3O7/c1-17-15-19(29(33)34)10-13-22(17)27-25(31)16-36-26(32)21-5-3-4-6-23(21)28-24(30)14-9-18-7-11-20(35-2)12-8-18/h3-8,10-13,15H,9,14,16H2,1-2H3,(H,27,31)(H,28,30)