2-(1,3-benzothiazol-2-yl)-4-[(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Formula: C20H12N3O4S- MolecularWeight: 390.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC=C4C=CC=C(C4=O)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC=C4C=CC=C(C4=O)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H13N3O4S/c24-17-9-8-13(21-11-12-4-3-6-16(19(12)25)23(26)27)10-14(17)20-22-15-5-1-2-7-18(15)28-20/h1-11,21,24H/p-1