2-(1-methylindol-3-yl)ethanoic acid; 2,4,6-trinitrophenol

Systemtic Name: 2-(1-methylindol-3-yl)ethanoic acid; 2,4,6-trinitrophenol Openeye Name: 2-(1-methylindol-3-yl)acetic acid; picric acid CAS Name: 2-(1-methyl-3-indolyl)acetic acid; 2,4,6-trinitrophenol IUPAC Name: 2-(1-methylindol-3-yl)acetic acid; 2,4,6-trinitrophenol Traditional Name: 2-(1-methylindol-3-yl)acetic acid; picric acid Formula: C17H14N4O9 MolecularWeight: 418.31446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11NO2.C6H3N3O7/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5,7H,6H2,1H3,(H,13,14);1-2,10H