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

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-ethoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)N)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=S)N)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-2-25-15-8-11(10-19-20-17(18)27)6-7-14(15)26-16(22)12-4-3-5-13(9-12)21(23)24/h3-10H,2H2,1H3,(H3,18,20,27)/b19-10+