2-[4-[3-methoxy-5-[(E)-2-nitroethenyl]-2-oxidanyl-phenoxy]-3,5-dinitro-phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-methoxy-5-[(E)-2-nitroethenyl]-2-oxidanyl-phenoxy]-3,5-dinitro-phenyl]ethanoic acid Openeye Name: 2-[4-[2-hydroxy-3-methoxy-5-[(E)-2-nitrovinyl]phenoxy]-3,5-dinitro-phenyl]acetic acid CAS Name: 2-[4-[2-hydroxy-3-methoxy-5-[(E)-2-nitroethenyl]phenoxy]-3,5-dinitrophenyl]acetic acid IUPAC Name: 2-[4-[2-hydroxy-3-methoxy-5-[(E)-2-nitroethenyl]phenoxy]-3,5-dinitrophenyl]acetic acid Traditional Name: 2-[4-[2-hydroxy-3-methoxy-5-[(E)-2-nitrovinyl]phenoxy]-3,5-dinitro-phenyl]acetic acid Formula: C17H13N3O11 MolecularWeight: 435.29862

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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)O)[N+](=O)[O-])C=C[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O11/c1-30-13-6-9(2-3-18(24)25)7-14(16(13)23)31-17-11(19(26)27)4-10(8-15(21)22)5-12(17)20(28)29/h2-7,23H,8H2,1H3,(H,21,22)/b3-2+