2-[[6-[(3-methoxyphenyl)methylamino]-3-nitro-pyridin-1-ium-2-yl]amino]ethanoate

Systemtic Name: 2-[[6-[(3-methoxyphenyl)methylamino]-3-nitro-pyridin-1-ium-2-yl]amino]ethanoate Openeye Name: 2-[[6-[(3-methoxyphenyl)methylamino]-3-nitro-pyridin-1-ium-2-yl]amino]acetate CAS Name: 2-[[6-[(3-methoxyphenyl)methylamino]-3-nitro-2-pyridin-1-iumyl]amino]acetate IUPAC Name: 2-[[6-[(3-methoxyphenyl)methylamino]-3-nitropyridin-1-ium-2-yl]amino]acetate Traditional Name: 2-[[6-(m-anisylamino)-3-nitro-pyridin-1-ium-2-yl]amino]acetate Formula: C15H16N4O5 MolecularWeight: 332.31134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=[NH+]C(=C(C=C2)[N+](=O)[O-])NCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=[NH+]C(=C(C=C2)[N+](=O)[O-])NCC(=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-24-11-4-2-3-10(7-11)8-16-13-6-5-12(19(22)23)15(18-13)17-9-14(20)21/h2-7H,8-9H2,1H3,(H,20,21)(H2,16,17,18)