(4-aminocarbonyl-2-nitro-phenyl)methyl 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate CAS Name: 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate Traditional Name: 4-[4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C24H24N4O7 MolecularWeight: 480.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C)CCC(=O)OC

InChI

InChI=1S/C24H24N4O7/c1-14-20(10-11-22(29)34-3)15(2)27(26-14)19-8-6-16(7-9-19)24(31)35-13-18-5-4-17(23(25)30)12-21(18)28(32)33/h4-9,12H,10-11,13H2,1-3H3,(H2,25,30)