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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-3-4-8-29-19(24)13-6-5-7-15(9-13)20-18(23)14-10-16(21(25)26)12(2)17(11-14)22(27)28/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,23)