propan-2-yl 4-[(3,5-dinitrophenyl)carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[(3,5-dinitrophenyl)carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(3,5-dinitrobenzoyl)amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3,5-dinitrobenzoyl)amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(3,5-dinitrobenzoyl)amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C16H17N5O7 MolecularWeight: 391.33548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O7/c1-4-19-8-13(14(18-19)16(23)28-9(2)3)17-15(22)10-5-11(20(24)25)7-12(6-10)21(26)27/h5-9H,4H2,1-3H3,(H,17,22)