methyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(1,4-dimethyl-3-pyrazolyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC)C

InChI

InChI=1S/C16H15N5O5S/c1-9-7-19(2)18-14(9)15(23)17-16-20(8-13(22)26-3)11-5-4-10(21(24)25)6-12(11)27-16/h4-7H,8H2,1-3H3