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

Systemtic Name: methyl 3-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-nitro-2-(1-oxobutylimino)-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-butyrylimino-6-nitro-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S/c1-3-4-13(19)16-15-17(8-7-14(20)23-2)11-6-5-10(18(21)22)9-12(11)24-15/h5-6,9H,3-4,7-8H2,1-2H3