propan-2-yl 1-ethyl-4-[(3-nitrophenyl)carbonylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[(3-nitrophenyl)carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[(3-nitrobenzoyl)amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(3-nitrophenyl)-oxomethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[(3-nitrobenzoyl)amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(3-nitrobenzoyl)amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5/c1-4-19-9-13(14(18-19)16(22)25-10(2)3)17-15(21)11-6-5-7-12(8-11)20(23)24/h5-10H,4H2,1-3H3,(H,17,21)