[2-methoxy-4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-methoxy-4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate Openeye Name: [2-methoxy-4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methoxy-4-[(E)-[(1-oxo-2-thiophen-2-ylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-methoxy-4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=CS2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CC2=CC=CS2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6S/c1-29-19-11-14(13-22-23-20(25)12-17-3-2-10-31-17)4-9-18(19)30-21(26)15-5-7-16(8-6-15)24(27)28/h2-11,13H,12H2,1H3,(H,23,25)/b22-13+