(4-pyrrolidin-1-ylcarbothioylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbothioylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O4S/c19-15-8-5-13(11-16(15)21(23)24)18(22)25-14-6-3-12(4-7-14)17(26)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2