(2-chloranyl-4-nitro-phenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (2-chloro-4-nitro-phenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (2-chloro-4-nitro-phenyl) ester Formula: C16H9ClN2O4S MolecularWeight: 360.77166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=CC(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C=C/C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H9ClN2O4S/c17-11-9-10(19(21)22)5-6-13(11)23-16(20)8-7-15-18-12-3-1-2-4-14(12)24-15/h1-9H/b8-7+