methyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]methylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5/c1-12-6-13(2)24(23-12)18-5-4-14(10-21-18)11-22-19(26)15-7-16(20(27)30-3)9-17(8-15)25(28)29/h4-10H,11H2,1-3H3,(H,22,26)