3-methylbutyl 4-[(3,5-dinitrophenyl)carbonylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[(3,5-dinitrophenyl)carbonylamino]benzoate Openeye Name: isopentyl 4-[(3,5-dinitrobenzoyl)amino]benzoate CAS Name: 4-[[(3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(3,5-dinitrobenzoyl)amino]benzoic acid isoamyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7/c1-12(2)7-8-29-19(24)13-3-5-15(6-4-13)20-18(23)14-9-16(21(25)26)11-17(10-14)22(27)28/h3-6,9-12H,7-8H2,1-2H3,(H,20,23)