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

Systemtic Name: methyl 2,6-bis[(3,5-dinitrophenyl)carbonylamino]hexanoate Openeye Name: methyl 2,6-bis[(3,5-dinitrobenzoyl)amino]hexanoate CAS Name: 2,6-bis[[(3,5-dinitrophenyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2,6-bis[(3,5-dinitrobenzoyl)amino]hexanoate Traditional Name: 2,6-bis[(3,5-dinitrobenzoyl)amino]hexanoic acid methyl ester Formula: C21H20N6O12 MolecularWeight: 548.4165

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C21H20N6O12/c1-39-21(30)18(23-20(29)13-8-16(26(35)36)11-17(9-13)27(37)38)4-2-3-5-22-19(28)12-6-14(24(31)32)10-15(7-12)25(33)34/h6-11,18H,2-5H2,1H3,(H,22,28)(H,23,29)