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

Systemtic Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-4-methoxy-3-nitro-benzamide Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c1-29-18-9-6-12(10-16(18)24(27)28)20(26)22-13-7-8-14(17(25)11-13)21-23-15-4-2-3-5-19(15)30-21/h2-11,23H,1H3,(H,22,26)