methyl 4-[bis(2-hydroxyethyl)amino]-3,5-dinitro-benzoate

Systemtic Name: methyl 4-[bis(2-hydroxyethyl)amino]-3,5-dinitro-benzoate Openeye Name: methyl 4-[bis(2-hydroxyethyl)amino]-3,5-dinitro-benzoate CAS Name: 4-[bis(2-hydroxyethyl)amino]-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-[bis(2-hydroxyethyl)amino]-3,5-dinitrobenzoate Traditional Name: 4-[bis(2-hydroxyethyl)amino]-3,5-dinitro-benzoic acid methyl ester Formula: C12H15N3O8 MolecularWeight: 329.2628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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