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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C(=O)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c1-12-10-13(6-8-17(12)24(27)28)20(26)22-14-7-9-18(25)15(11-14)21-23-16-4-2-3-5-19(16)29-21/h2-11,23H,1H3,(H,22,26)/b21-15+