ethyl 3-(3-nitrophenyl)-2-thiocyanato-propanoate

Systemtic Name: ethyl 3-(3-nitrophenyl)-2-thiocyanato-propanoate Openeye Name: ethyl 3-(3-nitrophenyl)-2-thiocyanato-propanoate CAS Name: 3-(3-nitrophenyl)-2-thiocyanatopropanoic acid ethyl ester IUPAC Name: ethyl 3-(3-nitrophenyl)-2-thiocyanatopropanoate Traditional Name: 3-(3-nitrophenyl)-2-thiocyanato-propionic acid ethyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c1-2-18-12(15)11(19-8-13)7-9-4-3-5-10(6-9)14(16)17/h3-6,11H,2,7H2,1H3