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

Systemtic Name: ethyl 3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5S/c1-2-28-19(25)14-9-13(10-15(11-14)23(26)27)18(24)22-7-5-21(6-8-22)12-16-3-4-17(20)29-16/h3-4,9-11H,2,5-8,12H2,1H3