1,3-benzothiazol-2-ylmethyl 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-chloro-5-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H12ClN3O5S MolecularWeight: 405.81228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O5S/c18-11-5-10(6-12(7-11)21(24)25)17(23)19-8-16(22)26-9-15-20-13-3-1-2-4-14(13)27-15/h1-7H,8-9H2,(H,19,23)