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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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