ethyl 4-[(4-azanyl-3-oxidanylidene-butyl)-ethanoyl-amino]benzoate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 4-[(4-azanyl-3-oxidanylidene-butyl)-ethanoyl-amino]benzoate; 2,4,6-trinitrophenol Openeye Name: ethyl 4-[acetyl-(4-amino-3-oxo-butyl)amino]benzoate; picric acid CAS Name: 4-[acetyl-(4-amino-3-oxobutyl)amino]benzoic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 4-[acetyl-(4-amino-3-oxobutyl)amino]benzoate; 2,4,6-trinitrophenol Traditional Name: 4-[acetyl-(4-amino-3-keto-butyl)amino]benzoic acid ethyl ester; picric acid Formula: C21H23N5O11 MolecularWeight: 521.43422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CN)C(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CN)C(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O4.C6H3N3O7/c1-3-21-15(20)12-4-6-13(7-5-12)17(11(2)18)9-8-14(19)10-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,3,8-10,16H2,1-2H3;1-2,10H