ethyl 1-methyl-5-[2-(3-nitropyrazol-1-yl)ethanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[2-(3-nitropyrazol-1-yl)ethanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[2-(3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C12H14N6O5 MolecularWeight: 322.27676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O5/c1-3-23-12(20)8-6-13-16(2)11(8)14-10(19)7-17-5-4-9(15-17)18(21)22/h4-6H,3,7H2,1-2H3,(H,14,19)