N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-nitro-benzamide Openeye Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-4-nitro-benzamide CAS Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-4-nitrobenzamide IUPAC Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-4-nitrobenzamide Traditional Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-4-nitro-benzamide Formula: C20H13N3O4S MolecularWeight: 391.39992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])S2

InChI

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