propan-2-yl 3,5-dinitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: propan-2-yl 3,5-dinitro-4-[(phenylmethyl)amino]benzoate Openeye Name: isopropyl 4-(benzylamino)-3,5-dinitro-benzoate CAS Name: 3,5-dinitro-4-[(phenylmethyl)amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(benzylamino)-3,5-dinitrobenzoate Traditional Name: 4-(benzylamino)-3,5-dinitro-benzoic acid isopropyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-11(2)26-17(21)13-8-14(19(22)23)16(15(9-13)20(24)25)18-10-12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3