(E)-3-(1,3-benzothiazol-7-yl)-4-(3-nitrophenyl)but-3-en-2-one

Systemtic Name: (E)-3-(1,3-benzothiazol-7-yl)-4-(3-nitrophenyl)but-3-en-2-one Openeye Name: (E)-3-(1,3-benzothiazol-7-yl)-4-(3-nitrophenyl)but-3-en-2-one CAS Name: (E)-3-(1,3-benzothiazol-7-yl)-4-(3-nitrophenyl)-3-buten-2-one IUPAC Name: (E)-3-(1,3-benzothiazol-7-yl)-4-(3-nitrophenyl)but-3-en-2-one Traditional Name: (E)-3-(1,3-benzothiazol-7-yl)-4-(3-nitrophenyl)but-3-en-2-one Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C2=C3C(=CC=C2)N=CS3

Isomeric SMILES

CC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/C2=C3C(=CC=C2)N=CS3

InChI

InChI=1S/C17H12N2O3S/c1-11(20)15(9-12-4-2-5-13(8-12)19(21)22)14-6-3-7-16-17(14)23-10-18-16/h2-10H,1H3/b15-9-