methyl 3-(2-ethanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(2-ethanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(2-acetylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-acetylimino-6-nitro-1,3-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-acetylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-acetylimino-6-nitro-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCC(=O)OC

Isomeric SMILES

CC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCC(=O)OC

InChI

InChI=1S/C13H13N3O5S/c1-8(17)14-13-15(6-5-12(18)21-2)10-4-3-9(16(19)20)7-11(10)22-13/h3-4,7H,5-6H2,1-2H3