methyl 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]ethanoate

Systemtic Name: methyl 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]ethanoate Openeye Name: methyl 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]acetate CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]acetate Traditional Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid methyl ester Formula: C10H9N3O4S MolecularWeight: 267.26116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O4S/c1-17-8(14)4-11-6-2-3-7-9(12-5-18-7)10(6)13(15)16/h2-3,5,11H,4H2,1H3