2-(2-azanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide; 2,4,6-trinitrophenol

Systemtic Name: 2-(2-azanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide; 2,4,6-trinitrophenol Openeye Name: 2-[(2-aminoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide; picric acid CAS Name: 2-[(2-amino-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide; 2,4,6-trinitrophenol IUPAC Name: 2-[(2-aminoacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide; 2,4,6-trinitrophenol Traditional Name: 2-(glycylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide; picric acid Formula: C17H18N6O9S MolecularWeight: 482.42462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN)C(=O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN)C(=O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O2S.C6H3N3O7/c12-5-8(15)14-11-9(10(13)16)6-3-1-2-4-7(6)17-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5,12H2,(H2,13,16)(H,14,15);1-2,10H