[1-(1,3-benzothiazol-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] 4-nitrobenzoate

Systemtic Name: [1-(1,3-benzothiazol-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] 4-nitrobenzoate Openeye Name: [1-(1,3-benzothiazol-2-yl)-4-oxo-cyclohexa-2,5-dien-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(1,3-benzothiazol-2-yl)-4-oxo-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1,3-benzothiazol-2-yl)-4-oxocyclohexa-2,5-dien-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(1,3-benzothiazol-2-yl)-4-keto-cyclohexa-2,5-dien-1-yl] ester Formula: C20H12N2O5S MolecularWeight: 392.38468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12N2O5S/c23-15-9-11-20(12-10-15,19-21-16-3-1-2-4-17(16)28-19)27-18(24)13-5-7-14(8-6-13)22(25)26/h1-12H