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

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2,3-dimethoxy-5-nitro-phenyl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2,3-dimethoxy-5-nitro-phenyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2,3-dimethoxy-5-nitrophenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2,3-dimethoxy-5-nitrophenyl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2,3-dimethoxy-5-nitro-phenyl)acrylic acid Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O7S/c1-25-14-9-11(20(23)24)7-10(16(14)26-2)8-15(17(21)22)28-18-19-12-5-3-4-6-13(12)27-18/h3-9H,1-2H3,(H,21,22)/b15-8-