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

Systemtic Name: 2-ethyl-1-methyl-pyrrolidin-3-one; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 2-ethyl-1-methyl-pyrrolidin-3-one; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 2-ethyl-1-methyl-3-pyrrolidinone; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: 2-ethyl-1-methylpyrrolidin-3-one; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 2-ethyl-1-methyl-3-pyrrolidone; 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C17H21N5O6 MolecularWeight: 391.37854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)CCN1C.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1C(=O)CCN1C.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O5.C7H13NO/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17;1-3-6-7(9)4-5-8(6)2/h2-5,9H,1H3;6H,3-5H2,1-2H3