(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-methoxy-3-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methoxy-3-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-methoxy-3-nitro-phenyl)acrylic acid Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6S/c1-24-14-7-6-10(8-12(14)19(22)23)9-15(16(20)21)26-17-18-11-4-2-3-5-13(11)25-17/h2-9H,1H3,(H,20,21)/b15-9+