butyl (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: butyl (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: butyl (E)-3-(3,4-dihydroxy-5-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxy-5-nitrophenyl)-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxy-5-nitro-phenyl)acrylic acid butyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-2-3-6-20-12(16)5-4-9-7-10(14(18)19)13(17)11(15)8-9/h4-5,7-8,15,17H,2-3,6H2,1H3/b5-4+