(4-pyrrolidin-1-ylcarbothioylphenyl) 2-nitrobenzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbothioylphenyl) 2-nitrobenzoate Openeye Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S/c21-18(15-5-1-2-6-16(15)20(22)23)24-14-9-7-13(8-10-14)17(25)19-11-3-4-12-19/h1-2,5-10H,3-4,11-12H2