[4-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(2-methoxyethylcarbamothioylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-[[(2-methoxyethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(2-methoxyethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-26-10-9-19-18(28)21-20-12-13-5-7-16(8-6-13)27-17(23)14-3-2-4-15(11-14)22(24)25/h2-8,11-12H,9-10H2,1H3,(H2,19,21,28)/b20-12-