methyl 4-(dipropylamino)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(dipropylamino)-3,5-dinitro-benzoate Openeye Name: methyl 4-(dipropylamino)-3,5-dinitro-benzoate CAS Name: 4-(dipropylamino)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(dipropylamino)-3,5-dinitrobenzoate Traditional Name: 4-(dipropylamino)-3,5-dinitro-benzoic acid methyl ester Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6/c1-4-6-15(7-5-2)13-11(16(19)20)8-10(14(18)23-3)9-12(13)17(21)22/h8-9H,4-7H2,1-3H3