2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2,4,6-trinitrophenol

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2,4,6-trinitrophenol Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; picric acid CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2,4,6-trinitrophenol IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2,4,6-trinitrophenol Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; picric acid Formula: C17H15N5O9 MolecularWeight: 433.3291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O2.C6H3N3O7/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4,6,9,13H,5,12H2,(H,14,15);1-2,10H