3-cyanopropyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: 3-cyanopropyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: 3-cyanopropyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid 3-cyanopropyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCCC#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O5S/c1-27-17-9-8-13(12-16(17)21(24)25)18(22)14-6-2-3-7-15(14)19(23)26-11-5-4-10-20/h2-3,6-9,12H,4-5,11H2,1H3