methyl 2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(CC(C)C)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(CC(C)C)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5/c1-12(2)10-17(20(26)29-5)21-19(25)16-8-6-15(7-9-16)11-23-14(4)18(24(27)28)13(3)22-23/h6-9,12,17H,10-11H2,1-5H3,(H,21,25)