ethyl 5-[3-(3-nitropyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-(3-nitropyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(3-nitropyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(3-nitropyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[3-(3-nitropyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5/c1-2-29-18(26)14-12-19-23(13-6-4-3-5-7-13)17(14)20-16(25)9-11-22-10-8-15(21-22)24(27)28/h3-8,10,12H,2,9,11H2,1H3,(H,20,25)