[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H14N4O5S MolecularWeight: 374.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)N)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)N)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c1-24-14-7-10(9-18-19-16(17)26)5-6-13(14)25-15(21)11-3-2-4-12(8-11)20(22)23/h2-9H,1H3,(H3,17,19,26)/b18-9+