methyl 4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-(3-methoxy-3-oxo-propyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(3-methoxy-3-oxopropyl)thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(3-methoxy-3-oxopropyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(3-keto-3-methoxy-propyl)thio]-3-nitro-benzoic acid methyl ester Formula: C12H13NO6S MolecularWeight: 299.29972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO6S/c1-18-11(14)5-6-20-10-4-3-8(12(15)19-2)7-9(10)13(16)17/h3-4,7H,5-6H2,1-2H3