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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,5-dinitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,5-dinitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,5-dinitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(6-keto-3,5-dinitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Formula: C20H11N4O6S- MolecularWeight: 435.38954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12N4O6S/c25-17-6-5-12(8-14(17)20-22-15-3-1-2-4-18(15)31-20)21-10-11-7-13(23(27)28)9-16(19(11)26)24(29)30/h1-10,21,25H/p-1