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

Systemtic Name: ethyl 4-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]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)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C17H24N4O6/c1-4-27-17(23)20-7-5-19(6-8-20)11-16(22)18-13-10-15(26-3)14(21(24)25)9-12(13)2/h9-10H,4-8,11H2,1-3H3,(H,18,22)/p+1