(4-chlorophenyl) 4-[[4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoyl]oxymethyl]benzoate

Systemtic Name: (4-chlorophenyl) 4-[[4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoyl]oxymethyl]benzoate Openeye Name: (4-chlorophenyl) 4-[[4-(4-methyl-2-nitro-anilino)-4-oxo-butanoyl]oxymethyl]benzoate CAS Name: 4-[[4-(4-methyl-2-nitroanilino)-1,4-dioxobutoxy]methyl]benzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-[[4-(4-methyl-2-nitroanilino)-4-oxobutanoyl]oxymethyl]benzoate Traditional Name: 4-[[4-keto-4-(4-methyl-2-nitro-anilino)butanoyl]oxymethyl]benzoic acid (4-chlorophenyl) ester Formula: C25H21ClN2O7 MolecularWeight: 496.89644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H21ClN2O7/c1-16-2-11-21(22(14-16)28(32)33)27-23(29)12-13-24(30)34-15-17-3-5-18(6-4-17)25(31)35-20-9-7-19(26)8-10-20/h2-11,14H,12-13,15H2,1H3,(H,27,29)