ethyl 4-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23N4O6+ MolecularWeight: 367.37702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O6/c1-3-26-16(22)19-8-6-18(7-9-19)11-15(21)17-13-5-4-12(25-2)10-14(13)20(23)24/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,21)/p+1