methyl 3-nitro-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzoate

Systemtic Name: methyl 3-nitro-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzoate Openeye Name: methyl 3-nitro-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzoate CAS Name: 3-nitro-4-[2-(2-pyridin-1-iumylamino)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzoate Traditional Name: 3-nitro-4-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzoic acid methyl ester Formula: C15H17N4O4+ MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCCNC2=CC=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCCNC2=CC=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4/c1-23-15(20)11-5-6-12(13(10-11)19(21)22)16-8-9-18-14-4-2-3-7-17-14/h2-7,10,16H,8-9H2,1H3,(H,17,18)/p+1