ethyl 4-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25N4O5+ MolecularWeight: 365.4042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5/c1-4-26-17(23)20-9-7-19(8-10-20)11-15(22)18-16-13(3)12(2)5-6-14(16)21(24)25/h5-6H,4,7-11H2,1-3H3,(H,18,22)/p+1