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

Systemtic Name: ethyl 3,5-dinitro-4-(propylamino)benzoate Openeye Name: ethyl 3,5-dinitro-4-(propylamino)benzoate CAS Name: 3,5-dinitro-4-(propylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3,5-dinitro-4-(propylamino)benzoate Traditional Name: 3,5-dinitro-4-(propylamino)benzoic acid ethyl ester Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC)[N+](=O)[O-]

InChI

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