methyl 2-azanylbenzoate; 2,4,6-trinitrophenol

Systemtic Name: methyl 2-azanylbenzoate; 2,4,6-trinitrophenol Openeye Name: methyl 2-aminobenzoate; picric acid CAS Name: 2-aminobenzoic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl 2-aminobenzoate; 2,4,6-trinitrophenol Traditional Name: 2-aminobenzoic acid methyl ester; picric acid Formula: C14H12N4O9 MolecularWeight: 380.26648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H9NO2.C6H3N3O7/c1-11-8(10)6-4-2-3-5-7(6)9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5H,9H2,1H3;1-2,10H