ethyl 4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23N4O5+ MolecularWeight: 351.37762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c1-3-25-16(22)19-8-6-18(7-9-19)11-15(21)17-14-10-13(20(23)24)5-4-12(14)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,21)/p+1