[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [3-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] ester Formula: C21H13N5O6S MolecularWeight: 463.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC(=CC=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC(=CC=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O6S/c27-20(14-9-15(25(28)29)11-16(10-14)26(30)31)32-17-5-3-4-13(8-17)12-22-24-21-23-18-6-1-2-7-19(18)33-21/h1-12H,(H,23,24)/b22-12+