1,6,7-trimethyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 1,6,7-trimethyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: picric acid; 1,6,7-trimethyl-3,4-dihydroisoquinoline CAS Name: 1,6,7-trimethyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 1,6,7-trimethyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: picric acid; 1,6,7-trimethyl-3,4-dihydroisoquinoline Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=NCCC2=C1)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=NCCC2=C1)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N.C6H3N3O7/c1-8-6-11-4-5-13-10(3)12(11)7-9(8)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7H,4-5H2,1-3H3;1-2,10H