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

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

Systemtic Name:phenethyl (E)-3-[2-nitro-3,4-bis(oxidanyl)phenyl]prop-2-enoate
Openeye Name:phenethyl (E)-3-(3,4-dihydroxy-2-nitro-phenyl)prop-2-enoate
CAS Name:(E)-3-(3,4-dihydroxy-2-nitrophenyl)-2-propenoic acid phenethyl ester
IUPAC Name:phenethyl (E)-3-(3,4-dihydroxy-2-nitrophenyl)prop-2-enoate
Traditional Name:(E)-3-(3,4-dihydroxy-2-nitro-phenyl)acrylic acid phenethyl ester
Formula: C17H15NO6
MolecularWeight: 329.3041
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C=CC2=C(C(=C(C=C2)O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)/C=C/C2=C(C(=C(C=C2)O)O)[N+](=O)[O-]


InChI

InChI=1S/C17H15NO6/c19-14-8-6-13(16(17(14)21)18(22)23)7-9-15(20)24-11-10-12-4-2-1-3-5-12/h1-9,19,21H,10-11H2/b9-7+


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