methyl 7-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]heptanoate CAS Name: 7-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]heptanoate Traditional Name: 7-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]enanthic acid methyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5/c1-15-20(25(28)29)16(2)24(23-15)14-17-9-11-18(12-10-17)21(27)22-13-7-5-4-6-8-19(26)30-3/h9-12H,4-8,13-14H2,1-3H3,(H,22,27)