3-azanylidene-1-ethoxy-2-[(4-nitrophenyl)carbamothioyl]but-1-en-1-olate

Systemtic Name: 3-azanylidene-1-ethoxy-2-[(4-nitrophenyl)carbamothioyl]but-1-en-1-olate Openeye Name: 1-ethoxy-3-imino-2-[(4-nitrophenyl)carbamothioyl]but-1-en-1-olate CAS Name: 1-ethoxy-3-imino-2-[(4-nitroanilino)-sulfanylidenemethyl]-1-buten-1-olate IUPAC Name: 1-ethoxy-3-imino-2-[(4-nitrophenyl)carbamothioyl]but-1-en-1-olate Traditional Name: 1-ethoxy-3-imino-2-[(4-nitrophenyl)thiocarbamoyl]but-1-en-1-olate Formula: C13H14N3O4S- MolecularWeight: 308.33296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=N)C)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=C(C(=N)C)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H15N3O4S/c1-3-20-13(17)11(8(2)14)12(21)15-9-4-6-10(7-5-9)16(18)19/h4-7,14,17H,3H2,1-2H3,(H,15,21)/p-1