ethyl 2-[3,5-dimethyl-4-[(3-nitrophenyl)carbonylamino]pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3,5-dimethyl-4-[(3-nitrophenyl)carbonylamino]pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[3,5-dimethyl-4-[(3-nitrobenzoyl)amino]pyrazol-1-yl]acetate CAS Name: 2-[3,5-dimethyl-4-[[(3-nitrophenyl)-oxomethyl]amino]-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3,5-dimethyl-4-[(3-nitrobenzoyl)amino]pyrazol-1-yl]acetate Traditional Name: 2-[3,5-dimethyl-4-[(3-nitrobenzoyl)amino]pyrazol-1-yl]acetic acid ethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

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