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

Systemtic Name: ethyl 3-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[2-(2-chloroanilino)-2-oxo-ethyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[2-(2-chloroanilino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[2-(2-chloroanilino)-2-keto-ethyl]piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C22H23ClN4O6 MolecularWeight: 474.89422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O6/c1-2-33-22(30)16-11-15(12-17(13-16)27(31)32)21(29)26-9-7-25(8-10-26)14-20(28)24-19-6-4-3-5-18(19)23/h3-6,11-13H,2,7-10,14H2,1H3,(H,24,28)