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

Systemtic Name: methyl 3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C25H27N5O5 MolecularWeight: 477.51238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O5/c1-16-23(30(33)34)17(2)29(27-16)15-18-6-8-19(9-7-18)24(31)26-21-14-20(25(32)35-3)10-11-22(21)28-12-4-5-13-28/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,26,31)