(E)-1-(1,3-benzothiazol-2-yl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H12N2O5S/c1-24-14-9-10(8-12(16(14)21)19(22)23)6-7-13(20)17-18-11-4-2-3-5-15(11)25-17/h2-9,21H,1H3/b7-6+