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

Systemtic Name: methyl 3,5-dinitro-4-(propylamino)benzoate Openeye Name: methyl 3,5-dinitro-4-(propylamino)benzoate CAS Name: 3,5-dinitro-4-(propylamino)benzoic acid methyl ester IUPAC Name: methyl 3,5-dinitro-4-(propylamino)benzoate Traditional Name: 3,5-dinitro-4-(propylamino)benzoic acid methyl ester Formula: C11H13N3O6 MolecularWeight: 283.23742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O6/c1-3-4-12-10-8(13(16)17)5-7(11(15)20-2)6-9(10)14(18)19/h5-6,12H,3-4H2,1-2H3