(Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloranyl-5-nitro-phenyl)but-3-enoate

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloranyl-5-nitro-phenyl)but-3-enoate Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitro-phenyl)but-3-enoate CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitrophenyl)-3-butenoate IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitrophenyl)but-3-enoate Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitro-phenyl)but-3-enoate Formula: C17H10ClN2O4S- MolecularWeight: 373.7903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O4S/c18-13-6-5-12(20(23)24)8-10(13)7-11(9-16(21)22)17-19-14-3-1-2-4-15(14)25-17/h1-8H,9H2,(H,21,22)/p-1/b11-7-