[3-nitro-4-(2-phenylpropanoylamino)phenyl] thiocyanate

Systemtic Name: [3-nitro-4-(2-phenylpropanoylamino)phenyl] thiocyanate Openeye Name: [3-nitro-4-(2-phenylpropanoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [3-nitro-4-[(1-oxo-2-phenylpropyl)amino]phenyl] ester IUPAC Name: [3-nitro-4-(2-phenylpropanoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(hydratropoylamino)-3-nitro-phenyl] ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)SC#N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-11(12-5-3-2-4-6-12)16(20)18-14-8-7-13(23-10-17)9-15(14)19(21)22/h2-9,11H,1H3,(H,18,20)