4-(2-dimethylaminoethyl)phenol; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: 4-(2-dimethylaminoethyl)phenol; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 4-(2-dimethylaminoethyl)phenol; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 4-(2-dimethylaminoethyl)phenol; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: 4-(2-dimethylaminoethyl)phenol; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 4-(2-dimethylaminoethyl)phenol; 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C20H23N5O6 MolecularWeight: 429.42652

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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-].CN(C)CCC1=CC=C(C=C1)O

Isomeric SMILES

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].CN(C)CCC1=CC=C(C=C1)O

InChI

InChI=1S/C10H8N4O5.C10H15NO/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17;1-11(2)8-7-9-3-5-10(12)6-4-9/h2-5,9H,1H3;3-6,12H,7-8H2,1-2H3