propan-2-yl 1-ethyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]phenyl]carbonylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]phenyl]carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[4-[(4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O5/c1-4-24-12-17(18(23-24)20(28)31-13(2)3)22-19(27)15-7-5-14(6-8-15)10-25-11-16(9-21-25)26(29)30/h5-9,11-13H,4,10H2,1-3H3,(H,22,27)