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

Systemtic Name: propan-2-yl 1-ethyl-4-[(2-methyl-3-nitro-phenyl)carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[(2-methyl-3-nitro-benzoyl)amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[(2-methyl-3-nitrobenzoyl)amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(2-methyl-3-nitro-benzoyl)amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5/c1-5-20-9-13(15(19-20)17(23)26-10(2)3)18-16(22)12-7-6-8-14(11(12)4)21(24)25/h6-10H,5H2,1-4H3,(H,18,22)