ethyl 2,6-bis[(3,5-dinitrophenyl)carbonylamino]hexanoate

Systemtic Name: ethyl 2,6-bis[(3,5-dinitrophenyl)carbonylamino]hexanoate Openeye Name: ethyl 2,6-bis[(3,5-dinitrobenzoyl)amino]hexanoate CAS Name: 2,6-bis[[(3,5-dinitrophenyl)-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 2,6-bis[(3,5-dinitrobenzoyl)amino]hexanoate Traditional Name: 2,6-bis[(3,5-dinitrobenzoyl)amino]hexanoic acid ethyl ester Formula: C22H22N6O12 MolecularWeight: 562.44308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O12/c1-2-40-22(31)19(24-21(30)14-9-17(27(36)37)12-18(10-14)28(38)39)5-3-4-6-23-20(29)13-7-15(25(32)33)11-16(8-13)26(34)35/h7-12,19H,2-6H2,1H3,(H,23,29)(H,24,30)