ethyl 2-[2-[2-(3-nitropyrazol-1-yl)ethanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(3-nitropyrazol-1-yl)ethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-(3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C12H13N5O5S MolecularWeight: 339.32712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O5S/c1-2-22-11(19)5-8-7-23-12(13-8)14-10(18)6-16-4-3-9(15-16)17(20)21/h3-4,7H,2,5-6H2,1H3,(H,13,14,18)