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

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=NNC(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)N

InChI

InChI=1S/C15H12N4O4S/c16-15(24)18-17-9-10-4-6-13(7-5-10)23-14(20)11-2-1-3-12(8-11)19(21)22/h1-9H,(H3,16,18,24)/b17-9+