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

Systemtic Name: methyl 4-(butylamino)-3,5-dinitro-benzoate Openeye Name: methyl 4-(butylamino)-3,5-dinitro-benzoate CAS Name: 4-(butylamino)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(butylamino)-3,5-dinitrobenzoate Traditional Name: 4-(butylamino)-3,5-dinitro-benzoic acid methyl ester Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6/c1-3-4-5-13-11-9(14(17)18)6-8(12(16)21-2)7-10(11)15(19)20/h6-7,13H,3-5H2,1-2H3