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

Systemtic Name: methyl 2-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[2-(2-chloroanilino)-2-oxo-ethyl]piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[2-(2-chloroanilino)-2-oxoethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-[2-(2-chloroanilino)-2-keto-ethyl]piperazino]-5-nitro-benzoic acid methyl ester Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O5/c1-30-20(27)15-12-14(25(28)29)6-7-18(15)24-10-8-23(9-11-24)13-19(26)22-17-5-3-2-4-16(17)21/h2-7,12H,8-11,13H2,1H3,(H,22,26)