methyl 2-[2-(2,5-dimethylpyrazol-3-yl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,5-dimethylpyrazol-3-yl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,5-dimethylpyrazole-3-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,5-dimethylpyrazole-3-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,5-dimethylpyrazole-3-carbonyl)imino-5-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=NN(C(=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OC)C

InChI

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