(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-5-nitro-2-oxidanidyl-phenyl)prop-2-enoate

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-5-nitro-2-oxidanidyl-phenyl)prop-2-enoate Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-5-nitro-2-oxido-phenyl)prop-2-enoate CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(3-methoxy-5-nitro-2-oxidophenyl)-2-propenoate IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-5-nitro-2-oxidophenyl)prop-2-enoate Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(3-methoxy-5-nitro-2-oxido-phenyl)acrylate Formula: C17H10N2O7S-2 MolecularWeight: 386.3355

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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)[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)/p-2/b14-7-