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

Systemtic Name: methyl 3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5S/c1-27-18(24)13-8-12(9-14(10-13)22(25)26)17(23)21-6-4-20(5-7-21)11-15-2-3-16(19)28-15/h2-3,8-10H,4-7,11H2,1H3