ethyl 4-[[3-methyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]pentanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-methyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]pentanoyl]amino]benzoate Openeye Name: ethyl 4-[[3-methyl-2-[(4-methyl-3-nitro-benzoyl)amino]pentanoyl]amino]benzoate CAS Name: 4-[[3-methyl-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]pentanoyl]amino]benzoate Traditional Name: 4-[[3-methyl-2-[(4-methyl-3-nitro-benzoyl)amino]pentanoyl]amino]benzoic acid ethyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O6/c1-5-14(3)20(25-21(27)17-8-7-15(4)19(13-17)26(30)31)22(28)24-18-11-9-16(10-12-18)23(29)32-6-2/h7-14,20H,5-6H2,1-4H3,(H,24,28)(H,25,27)