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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-[(3-chloranyl-2,4-dimethyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-[(3-chloro-2,4-dimethyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[(3-chloro-6-keto-2,4-dimethyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Formula: C22H15ClN3O4S- MolecularWeight: 452.8902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)C1=CNC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)[O-])[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=C(C(=O)C1=CNC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)[O-])[N+](=O)[O-])C)Cl

InChI

InChI=1S/C22H16ClN3O4S/c1-11-15(21(28)20(26(29)30)12(2)19(11)23)10-24-13-7-8-14(17(27)9-13)22-25-16-5-3-4-6-18(16)31-22/h3-10,24,27H,1-2H3/p-1