[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C23H25N3O7 MolecularWeight: 455.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O7/c1-15-12-19(9-10-20(15)26(31)32)23(30)25-13-22(29)33-14-21(28)18-7-5-17(6-8-18)4-3-11-24-16(2)27/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,24,27)(H,25,30)