3-[(2R)-2-azanylpropyl]indole-1-carboxylic acid; 2,4,6-trinitrophenol

Systemtic Name: 3-[(2R)-2-azanylpropyl]indole-1-carboxylic acid; 2,4,6-trinitrophenol Openeye Name: 3-[(2R)-2-aminopropyl]indole-1-carboxylic acid; picric acid CAS Name: 3-[(2R)-2-aminopropyl]-1-indolecarboxylic acid; 2,4,6-trinitrophenol IUPAC Name: 3-[(2R)-2-aminopropyl]indole-1-carboxylic acid; 2,4,6-trinitrophenol Traditional Name: 3-[(2R)-2-aminopropyl]indole-1-carboxylic acid; picric acid Formula: C18H17N5O9 MolecularWeight: 447.35568

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN(C2=CC=CC=C21)C(=O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H](CC1=CN(C2=CC=CC=C21)C(=O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O2.C6H3N3O7/c1-8(13)6-9-7-14(12(15)16)11-5-3-2-4-10(9)11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5,7-8H,6,13H2,1H3,(H,15,16);1-2,10H/t8-;/m1./s1