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

Systemtic Name: methyl 2-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-nitro-2-(1-oxobutylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-butyrylimino-6-nitro-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S/c1-3-4-12(18)15-14-16(8-13(19)22-2)10-6-5-9(17(20)21)7-11(10)23-14/h5-7H,3-4,8H2,1-2H3