(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C22H25N5O7 MolecularWeight: 471.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1)OC)OC.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CCN1)OC)OC.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17NO2.C10H8N4O5/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h6-8,13H,4-5H2,1-3H3;2-5,9H,1H3/t8-;/m0./s1