[4-(4-oxidanylpiperidin-1-yl)carbothioylphenyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [4-(4-oxidanylpiperidin-1-yl)carbothioylphenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] ester Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=S)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1O)C(=S)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN2O5S/c20-17-11-13(22(25)26)3-6-16(17)19(24)27-15-4-1-12(2-5-15)18(28)21-9-7-14(23)8-10-21/h1-6,11,14,23H,7-10H2