ethyl 3-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C24H29N4O6+ MolecularWeight: 469.51026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C24H28N4O6/c1-3-17-7-5-6-8-21(17)25-22(29)16-26-9-11-27(12-10-26)23(30)18-13-19(24(31)34-4-2)15-20(14-18)28(32)33/h5-8,13-15H,3-4,9-12,16H2,1-2H3,(H,25,29)/p+1