propan-2-yl 4-(butylamino)-3,5-dinitro-benzoate

Systemtic Name: propan-2-yl 4-(butylamino)-3,5-dinitro-benzoate Openeye Name: isopropyl 4-(butylamino)-3,5-dinitro-benzoate CAS Name: 4-(butylamino)-3,5-dinitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(butylamino)-3,5-dinitrobenzoate Traditional Name: 4-(butylamino)-3,5-dinitro-benzoic acid isopropyl ester Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6/c1-4-5-6-15-13-11(16(19)20)7-10(8-12(13)17(21)22)14(18)23-9(2)3/h7-9,15H,4-6H2,1-3H3