methyl 3-[[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[3-(3,5-dimethyl-1-pyrazolyl)-2-methylpropyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CC(C)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C18H22N4O5/c1-11(10-21-13(3)5-12(2)20-21)9-19-17(23)14-6-15(18(24)27-4)8-16(7-14)22(25)26/h5-8,11H,9-10H2,1-4H3,(H,19,23)