ethyl 4-(3-nitrophenyl)-3-thiocyanato-butanoate

Systemtic Name: ethyl 4-(3-nitrophenyl)-3-thiocyanato-butanoate Openeye Name: ethyl 4-(3-nitrophenyl)-3-thiocyanato-butanoate CAS Name: 4-(3-nitrophenyl)-3-thiocyanatobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-3-thiocyanatobutanoate Traditional Name: 4-(3-nitrophenyl)-3-thiocyanato-butyric acid ethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC(=CC=C1)[N+](=O)[O-])SC#N

Isomeric SMILES

CCOC(=O)CC(CC1=CC(=CC=C1)[N+](=O)[O-])SC#N

InChI

InChI=1S/C13H14N2O4S/c1-2-19-13(16)8-12(20-9-14)7-10-4-3-5-11(6-10)15(17)18/h3-6,12H,2,7-8H2,1H3