ethyl 2-methyl-7-oxidanylidene-1,3,4,4a,5,6-hexahydroisoquinoline-4-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 2-methyl-7-oxidanylidene-1,3,4,4a,5,6-hexahydroisoquinoline-4-carboxylate; 2,4,6-trinitrophenol Openeye Name: ethyl 2-methyl-7-oxo-1,3,4,4a,5,6-hexahydroisoquinoline-4-carboxylate; picric acid CAS Name: 2-methyl-7-oxo-1,3,4,4a,5,6-hexahydroisoquinoline-4-carboxylic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 2-methyl-7-oxo-1,3,4,4a,5,6-hexahydroisoquinoline-4-carboxylate; 2,4,6-trinitrophenol Traditional Name: 7-keto-2-methyl-1,3,4,4a,5,6-hexahydroisoquinoline-4-carboxylic acid ethyl ester; picric acid Formula: C19H22N4O10 MolecularWeight: 466.39878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC2=CC(=O)CCC12)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CN(CC2=CC(=O)CCC12)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19NO3.C6H3N3O7/c1-3-17-13(16)12-8-14(2)7-9-6-10(15)4-5-11(9)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6,11-12H,3-5,7-8H2,1-2H3;1-2,10H