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

Systemtic Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-ethoxy-phenyl] ester Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O5S/c1-2-31-20-12-15(14-24-26-23-25-18-8-3-4-9-21(18)33-23)10-11-19(20)32-22(28)16-6-5-7-17(13-16)27(29)30/h3-14H,2H2,1H3,(H,25,26)/b24-14+