methyl 4-[3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O5/c1-12-10-18(19(26)11-23-15(4)20(25(28)29)13(2)22-23)14(3)24(12)17-8-6-16(7-9-17)21(27)30-5/h6-10H,11H2,1-5H3