methyl 3-[[5-[bis(2-hydroxyethyl)amino]-2,4-dinitro-phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[5-[bis(2-hydroxyethyl)amino]-2,4-dinitro-phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[5-[bis(2-hydroxyethyl)amino]-2,4-dinitro-benzoyl]amino]propanoate CAS Name: 3-[[[5-[bis(2-hydroxyethyl)amino]-2,4-dinitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoyl]amino]propanoate Traditional Name: 3-[[5-[bis(2-hydroxyethyl)amino]-2,4-dinitro-benzoyl]amino]propionic acid methyl ester Formula: C15H20N4O9 MolecularWeight: 400.3407

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCO

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCO

InChI

InChI=1S/C15H20N4O9/c1-28-14(22)2-3-16-15(23)10-8-12(17(4-6-20)5-7-21)13(19(26)27)9-11(10)18(24)25/h8-9,20-21H,2-7H2,1H3,(H,16,23)