methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitro-benzoate

Systemtic Name: methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitro-benzoate Openeye Name: methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitro-benzoate CAS Name: 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoic acid methyl ester IUPAC Name: methyl 5-[bis(2-hydroxyethyl)amino]-2,4-dinitrobenzoate Traditional Name: 5-[bis(2-hydroxyethyl)amino]-2,4-dinitro-benzoic acid methyl ester Formula: C12H15N3O8 MolecularWeight: 329.2628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O8/c1-23-12(18)8-6-10(13(2-4-16)3-5-17)11(15(21)22)7-9(8)14(19)20/h6-7,16-17H,2-5H2,1H3