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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(methylamino)-3-nitro-phenyl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(methylamino)-3-nitro-phenyl]pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(methylamino)-3-nitrophenyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(methylamino)-3-nitrophenyl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(methylamino)-3-nitro-phenyl]pent-4-enoate Formula: C19H16N3O4S- MolecularWeight: 382.41304

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c1-20-14-8-6-12(11-16(14)22(25)26)10-13(7-9-18(23)24)19-21-15-4-2-3-5-17(15)27-19/h2-6,8,10-11,20H,7,9H2,1H3,(H,23,24)/p-1/b13-10+