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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-oxidanidyl-phenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-oxido-phenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-oxidophenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-oxidophenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-oxido-phenyl)pent-4-enoate Formula: C18H12N2O5S-2 MolecularWeight: 368.36328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=C(C=C3)[O-])[N+](=O)[O-])/CCC(=O)[O-]

InChI

InChI=1S/C18H14N2O5S/c21-15-7-5-11(10-14(15)20(24)25)9-12(6-8-17(22)23)18-19-13-3-1-2-4-16(13)26-18/h1-5,7,9-10,21H,6,8H2,(H,22,23)/p-2/b12-9+