methyl 4-[bis(2-hydroxyethyl)amino]-2,3-dinitro-benzoate

Systemtic Name: methyl 4-[bis(2-hydroxyethyl)amino]-2,3-dinitro-benzoate Openeye Name: methyl 4-[bis(2-hydroxyethyl)amino]-2,3-dinitro-benzoate CAS Name: 4-[bis(2-hydroxyethyl)amino]-2,3-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-[bis(2-hydroxyethyl)amino]-2,3-dinitrobenzoate Traditional Name: 4-[bis(2-hydroxyethyl)amino]-2,3-dinitro-benzoic acid methyl ester Formula: C12H15N3O8 MolecularWeight: 329.2628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O8/c1-23-12(18)8-2-3-9(13(4-6-16)5-7-17)11(15(21)22)10(8)14(19)20/h2-3,16-17H,4-7H2,1H3