[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H20ClN3O5S/c1-13-3-2-4-15(23(26)27)18(13)19(25)28-12-17(24)22-9-7-21(8-10-22)11-14-5-6-16(20)29-14/h2-6H,7-12H2,1H3