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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Formula: C20H11ClN3O4S- MolecularWeight: 424.83704

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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-])Cl)[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-])Cl)[O-]

InChI

InChI=1S/C20H12ClN3O4S/c21-12-7-11(19(26)16(8-12)24(27)28)10-22-13-5-6-17(25)14(9-13)20-23-15-3-1-2-4-18(15)29-20/h1-10,22,25H/p-1