methyl 3-nitro-4-(pyridin-3-ylmethylamino)benzoate

Systemtic Name: methyl 3-nitro-4-(pyridin-3-ylmethylamino)benzoate Openeye Name: methyl 3-nitro-4-(3-pyridylmethylamino)benzoate CAS Name: 3-nitro-4-(3-pyridinylmethylamino)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(pyridin-3-ylmethylamino)benzoate Traditional Name: 3-nitro-4-(3-pyridylmethylamino)benzoic acid methyl ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-21-14(18)11-4-5-12(13(7-11)17(19)20)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3