methyl 4-(3-cyano-4-nitro-phenyl)sulfanylbenzoate

Systemtic Name: methyl 4-(3-cyano-4-nitro-phenyl)sulfanylbenzoate Openeye Name: methyl 4-(3-cyano-4-nitro-phenyl)sulfanylbenzoate CAS Name: 4-[(3-cyano-4-nitrophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-4-nitrophenyl)sulfanylbenzoate Traditional Name: 4-[(3-cyano-4-nitro-phenyl)thio]benzoic acid methyl ester Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC2=CC(=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC2=CC(=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H10N2O4S/c1-21-15(18)10-2-4-12(5-3-10)22-13-6-7-14(17(19)20)11(8-13)9-16/h2-8H,1H3