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

Systemtic Name: methyl 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoate Openeye Name: methyl 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoate CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanoate Traditional Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propionic acid methyl ester Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O4S/c1-6(11(15)18-2)13-7-3-4-8-9(12-5-19-8)10(7)14(16)17/h3-6,13H,1-2H3