methyl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O6/c1-30-21(27)16-4-7-19(18(12-16)25(28)29)31-14-20(26)24-10-8-23(9-11-24)13-15-2-5-17(22)6-3-15/h2-7,12H,8-11,13-14H2,1H3