2-ethoxyethyl 5-azanyl-1-(4-nitrophenyl)-3-propan-2-yl-pyrazole-4-carboxylate

Systemtic Name: 2-ethoxyethyl 5-azanyl-1-(4-nitrophenyl)-3-propan-2-yl-pyrazole-4-carboxylate Openeye Name: 2-ethoxyethyl 5-amino-3-isopropyl-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-nitrophenyl)-3-propan-2-yl-4-pyrazolecarboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 5-amino-1-(4-nitrophenyl)-3-propan-2-ylpyrazole-4-carboxylate Traditional Name: 5-amino-3-isopropyl-1-(4-nitrophenyl)pyrazole-4-carboxylic acid 2-ethoxyethyl ester Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=C(N(N=C1C(C)C)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOCCOC(=O)C1=C(N(N=C1C(C)C)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C17H22N4O5/c1-4-25-9-10-26-17(22)14-15(11(2)3)19-20(16(14)18)12-5-7-13(8-6-12)21(23)24/h5-8,11H,4,9-10,18H2,1-3H3