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

Systemtic Name: methyl 3-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H21ClN4O6 MolecularWeight: 460.86764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O6/c1-32-21(29)15-10-14(11-16(12-15)26(30)31)20(28)25-8-6-24(7-9-25)13-19(27)23-18-5-3-2-4-17(18)22/h2-5,10-12H,6-9,13H2,1H3,(H,23,27)