6-(3H-1,3-benzothiazol-2-ylidene)-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(3H-1,3-benzothiazol-2-ylidene)-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 6-(3H-1,3-benzothiazol-2-ylidene)-4-benzyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-(3H-1,3-benzothiazol-2-ylidene)-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 6-(3H-1,3-benzothiazol-2-ylidene)-4-benzyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-(3H-1,3-benzothiazol-2-ylidene)-4-benzyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C20H14N2O3S MolecularWeight: 362.40176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O3S/c23-19-15(20-21-16-8-4-5-9-18(16)26-20)11-14(12-17(19)22(24)25)10-13-6-2-1-3-7-13/h1-9,11-12,21H,10H2