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methyl 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate

methyl 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate

Systemtic Name:methyl 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate
Openeye Name:methyl 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]benzoate
CAS Name:4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]benzoate
Traditional Name:4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]benzoic acid methyl ester
Formula: C17H12N2O4S
MolecularWeight: 340.35318
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C17H12N2O4S/c1-23-17(20)12-5-2-11(3-6-12)4-9-16-18-14-8-7-13(19(21)22)10-15(14)24-16/h2-10H,1H3/b9-4+


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