2-methylpropyl 4-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate Openeye Name: isobutyl 4-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoate CAS Name: 4-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoic acid isobutyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-11(2)10-29-19(24)13-4-6-15(7-5-13)20-18(23)14-8-16(21(25)26)12(3)17(9-14)22(27)28/h4-9,11H,10H2,1-3H3,(H,20,23)