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

Systemtic Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-2-methyl-3-nitro-benzamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2

InChI

InChI=1S/C21H15N3O4S/c1-12-14(5-4-7-17(12)24(27)28)20(26)22-13-9-10-15(18(25)11-13)21-23-16-6-2-3-8-19(16)29-21/h2-11,23H,1H3,(H,22,26)