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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitro-4-oxidanidyl-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitro-4-oxido-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitro-4-oxidophenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitro-4-oxidophenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-nitro-4-oxido-phenyl)but-3-enoate Formula: C17H10N2O5S-2 MolecularWeight: 354.3367

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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-])CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O5S/c20-14-6-5-10(8-13(14)19(23)24)7-11(9-16(21)22)17-18-12-3-1-2-4-15(12)25-17/h1-8,20H,9H2,(H,21,22)/p-2/b11-7+