butan-2-yl 4-(dipropylamino)-3,5-dinitro-benzoate

Systemtic Name: butan-2-yl 4-(dipropylamino)-3,5-dinitro-benzoate Openeye Name: sec-butyl 4-(dipropylamino)-3,5-dinitro-benzoate CAS Name: 4-(dipropylamino)-3,5-dinitrobenzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-(dipropylamino)-3,5-dinitrobenzoate Traditional Name: 4-(dipropylamino)-3,5-dinitro-benzoic acid sec-butyl ester Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC(C)CC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6/c1-5-8-18(9-6-2)16-14(19(22)23)10-13(11-15(16)20(24)25)17(21)26-12(4)7-3/h10-12H,5-9H2,1-4H3