2,6-bis[(3,5-dinitrophenyl)carbonylamino]hexanoic acid

Systemtic Name: 2,6-bis[(3,5-dinitrophenyl)carbonylamino]hexanoic acid Openeye Name: 2,6-bis[(3,5-dinitrobenzoyl)amino]hexanoic acid CAS Name: 2,6-bis[[(3,5-dinitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2,6-bis[(3,5-dinitrobenzoyl)amino]hexanoic acid Traditional Name: 2,6-bis[(3,5-dinitrobenzoyl)amino]hexanoic acid Formula: C20H18N6O12 MolecularWeight: 534.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCC(C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCC(C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O12/c27-18(11-5-13(23(31)32)9-14(6-11)24(33)34)21-4-2-1-3-17(20(29)30)22-19(28)12-7-15(25(35)36)10-16(8-12)26(37)38/h5-10,17H,1-4H2,(H,21,27)(H,22,28)(H,29,30)