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

Systemtic Name: ethyl 4-(butylamino)-3,5-dinitro-benzoate Openeye Name: ethyl 4-(butylamino)-3,5-dinitro-benzoate CAS Name: 4-(butylamino)-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(butylamino)-3,5-dinitrobenzoate Traditional Name: 4-(butylamino)-3,5-dinitro-benzoic acid ethyl ester Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6/c1-3-5-6-14-12-10(15(18)19)7-9(13(17)22-4-2)8-11(12)16(20)21/h7-8,14H,3-6H2,1-2H3