ethyl 4-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(2-methoxy-5-nitro-anilino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-keto-3-(2-methoxy-5-nitro-anilino)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25N4O6+ MolecularWeight: 381.4036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6/c1-3-27-17(23)20-10-8-19(9-11-20)7-6-16(22)18-14-12-13(21(24)25)4-5-15(14)26-2/h4-5,12H,3,6-11H2,1-2H3,(H,18,22)/p+1