(E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-5-nitro-4-oxido-phenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-5-nitro-4-oxidophenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-5-nitro-4-oxidophenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-5-nitro-4-oxido-phenyl)pent-4-enoate Formula: C19H14N2O6S-2 MolecularWeight: 398.38926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H16N2O6S/c1-27-15-10-11(9-14(18(15)24)21(25)26)8-12(6-7-17(22)23)19-20-13-4-2-3-5-16(13)28-19/h2-5,8-10,24H,6-7H2,1H3,(H,22,23)/p-2/b12-8+