(Z)-3-(2H-1,2,3-benzothiadiazol-3-yl)-4-(3-nitrophenyl)but-3-en-2-one

Systemtic Name: (Z)-3-(2H-1,2,3-benzothiadiazol-3-yl)-4-(3-nitrophenyl)but-3-en-2-one Openeye Name: (Z)-3-(2H-1,2,3-benzothiadiazol-3-yl)-4-(3-nitrophenyl)but-3-en-2-one CAS Name: (Z)-3-(2H-1,2,3-benzothiadiazol-3-yl)-4-(3-nitrophenyl)-3-buten-2-one IUPAC Name: (Z)-3-(2H-1,2,3-benzothiadiazol-3-yl)-4-(3-nitrophenyl)but-3-en-2-one Traditional Name: (Z)-3-(2H-1,2,3-benzothiadiazol-3-yl)-4-(3-nitrophenyl)but-3-en-2-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])N2C3=CC=CC=C3SN2

Isomeric SMILES

CC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/N2C3=CC=CC=C3SN2

InChI

InChI=1S/C16H13N3O3S/c1-11(20)15(10-12-5-4-6-13(9-12)19(21)22)18-14-7-2-3-8-16(14)23-17-18/h2-10,17H,1H3/b15-10-