[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(4-phenoxyphenyl)amino]pentanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(4-phenoxyphenyl)amino]pentanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-oxo-5-(4-phenoxyanilino)pentanoate CAS Name: 5-oxo-5-(4-phenoxyanilino)pentanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-oxo-5-(4-phenoxyanilino)pentanoate Traditional Name: 5-keto-5-(4-phenoxyanilino)valeric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C26H24N2O7 MolecularWeight: 476.47796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O7/c1-18-10-11-19(16-23(18)28(32)33)24(29)17-34-26(31)9-5-8-25(30)27-20-12-14-22(15-13-20)35-21-6-3-2-4-7-21/h2-4,6-7,10-16H,5,8-9,17H2,1H3,(H,27,30)