1,3-benzothiazol-2-ylmethyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5S/c21-16(25-10-15-19-13-6-1-2-7-14(13)26-15)9-18-17(22)11-4-3-5-12(8-11)20(23)24/h1-8H,9-10H2,(H,18,22)