ethyl 2-[2,4-bis(azanyl)phenyl]ethanoate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 2-[2,4-bis(azanyl)phenyl]ethanoate; 2,4,6-trinitrophenol Openeye Name: ethyl 2-(2,4-diaminophenyl)acetate; picric acid CAS Name: 2-(2,4-diaminophenyl)acetic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 2-(2,4-diaminophenyl)acetate; 2,4,6-trinitrophenol Traditional Name: 2-(2,4-diaminophenyl)acetic acid ethyl ester; picric acid Formula: C22H20N8O16 MolecularWeight: 652.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=C(C=C1)N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=C(C=C(C=C1)N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O2.2C6H3N3O7/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,6H,2,5,11-12H2,1H3;2*1-2,10H