6-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(1,3-benzothiazol-2-yl)hydrazino]methylene]-4-benzyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(1,3-benzothiazol-2-ylhydrazo)methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-4-benzyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-(1,3-benzothiazol-2-yl)hydrazino]methylene]-4-benzyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CNNC3=NC4=CC=CC=C4S3)C(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CNNC3=NC4=CC=CC=C4S3)C(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c26-20-16(13-22-24-21-23-17-8-4-5-9-19(17)29-21)11-15(12-18(20)25(27)28)10-14-6-2-1-3-7-14/h1-9,11-13,22H,10H2,(H,23,24)