methyl 2-[4-(5-methanoyl-3-methoxy-2-oxidanyl-phenoxy)-3,5-dinitro-phenyl]ethanoate

Systemtic Name: methyl 2-[4-(5-methanoyl-3-methoxy-2-oxidanyl-phenoxy)-3,5-dinitro-phenyl]ethanoate Openeye Name: methyl 2-[4-(5-formyl-2-hydroxy-3-methoxy-phenoxy)-3,5-dinitro-phenyl]acetate CAS Name: 2-[4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3,5-dinitrophenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3,5-dinitrophenyl]acetate Traditional Name: 2-[4-(5-formyl-2-hydroxy-3-methoxy-phenoxy)-3,5-dinitro-phenyl]acetic acid methyl ester Formula: C17H14N2O10 MolecularWeight: 406.30046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC2=C(C=C(C=C2[N+](=O)[O-])CC(=O)OC)[N+](=O)[O-])C=O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC2=C(C=C(C=C2[N+](=O)[O-])CC(=O)OC)[N+](=O)[O-])C=O

InChI

InChI=1S/C17H14N2O10/c1-27-13-5-10(8-20)6-14(16(13)22)29-17-11(18(23)24)3-9(7-15(21)28-2)4-12(17)19(25)26/h3-6,8,22H,7H2,1-2H3