methyl 3,5-dinitro-4-(pyridin-3-ylmethylamino)benzoate

Systemtic Name: methyl 3,5-dinitro-4-(pyridin-3-ylmethylamino)benzoate Openeye Name: methyl 3,5-dinitro-4-(3-pyridylmethylamino)benzoate CAS Name: 3,5-dinitro-4-(3-pyridinylmethylamino)benzoic acid methyl ester IUPAC Name: methyl 3,5-dinitro-4-(pyridin-3-ylmethylamino)benzoate Traditional Name: 3,5-dinitro-4-(3-pyridylmethylamino)benzoic acid methyl ester Formula: C14H12N4O6 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O6/c1-24-14(19)10-5-11(17(20)21)13(12(6-10)18(22)23)16-8-9-3-2-4-15-7-9/h2-7,16H,8H2,1H3