(E)-1-(1,3-benzothiazol-2-yl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one Formula: C16H10N2O4S MolecularWeight: 326.3266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)C=CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)/C=C/C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O4S/c19-13-7-5-10(9-12(13)18(21)22)6-8-14(20)16-17-11-3-1-2-4-15(11)23-16/h1-9,19H/b8-6+