(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-5-nitro-2-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-5-nitro-2-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2-hydroxy-3-methoxy-5-nitrophenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2-hydroxy-3-methoxy-5-nitro-phenyl)acrylic acid Formula: C17H12N2O7S MolecularWeight: 388.35138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O)SC2=NC3=CC=CC=C3O2)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C(/C(=O)O)\SC2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C17H12N2O7S/c1-25-13-8-10(19(23)24)6-9(15(13)20)7-14(16(21)22)27-17-18-11-4-2-3-5-12(11)26-17/h2-8,20H,1H3,(H,21,22)/b14-7-