methyl 2-[4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanoate Openeye Name: methyl 2-[4-[2-(4-nitroanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[4-[2-(4-nitroanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(4-nitroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[4-[2-keto-2-(4-nitroanilino)ethyl]piperazine-1,4-diium-1-yl]acetic acid methyl ester Formula: C15H22N4O5+2 MolecularWeight: 338.35898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O5/c1-24-15(21)11-18-8-6-17(7-9-18)10-14(20)16-12-2-4-13(5-3-12)19(22)23/h2-5H,6-11H2,1H3,(H,16,20)/p+2