6-ethoxy-7-methoxy-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline; picric acid CAS Name: 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline; picric acid Formula: C18H18N4O9 MolecularWeight: 434.35692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C=NCCC2=C1)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C=NCCC2=C1)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15NO2.C6H3N3O7/c1-3-15-12-6-9-4-5-13-8-10(9)7-11(12)14-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-8H,3-5H2,1-2H3;1-2,10H