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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(methylamino)-3-nitro-phenyl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(methylamino)-3-nitro-phenyl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(methylamino)-3-nitrophenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(methylamino)-3-nitrophenyl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(methylamino)-3-nitro-phenyl]but-3-enoate Formula: C18H14N3O4S- MolecularWeight: 368.38646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S/c1-19-13-7-6-11(9-15(13)21(24)25)8-12(10-17(22)23)18-20-14-4-2-3-5-16(14)26-18/h2-9,19H,10H2,1H3,(H,22,23)/p-1/b12-8+