2-nitroethyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: 2-nitroethyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: 2-nitroethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-nitroethyl ester IUPAC Name: 2-nitroethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid 2-nitroethyl ester Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)OCC[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)OCC[N+](=O)[O-])O)O

InChI

InChI=1S/C11H11NO6/c13-9-3-1-8(7-10(9)14)2-4-11(15)18-6-5-12(16)17/h1-4,7,13-14H,5-6H2/b4-2+