[4-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(methylcarbamothioylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(methylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-17-16(25)19-18-10-11-5-7-14(8-6-11)24-15(21)12-3-2-4-13(9-12)20(22)23/h2-10H,1H3,(H2,17,19,25)/b18-10-