(3-nitrophenyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (3-nitrophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (3-nitrophenyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (3-nitrophenyl) ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4S/c19-16(22-12-5-3-4-11(10-12)18(20)21)9-8-15-17-13-6-1-2-7-14(13)23-15/h1-7,10H,8-9H2