[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [5-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S/c1-30-18-11-6-14(13-23-25-22-24-17-4-2-3-5-20(17)32-22)12-19(18)31-21(27)15-7-9-16(10-8-15)26(28)29/h2-13H,1H3,(H,24,25)/b23-13+