5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one

Systemtic Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one Openeye Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one CAS Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-[4-(1-pyrrolidinyl)but-2-ynyl]-2-pyrrolidinone IUPAC Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one Traditional Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one; 1-(4-pyrrolidinobut-2-ynyl)-2-pyrrolidone Formula: C22H26N6O6 MolecularWeight: 470.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].C1CCN(C1)CC#CCN2CCCC2=O

Isomeric SMILES

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].C1CCN(C1)CC#CCN2CCCC2=O

InChI

InChI=1S/C12H18N2O.C10H8N4O5/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h1-2,5-11H2;2-5,9H,1H3