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

Systemtic Name: phenethyl (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: phenethyl (E)-3-(3,4-dihydroxy-5-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxy-5-nitrophenyl)-2-propenoic acid phenethyl ester IUPAC Name: phenethyl (E)-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxy-5-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=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c19-15-11-13(10-14(17(15)21)18(22)23)6-7-16(20)24-9-8-12-4-2-1-3-5-12/h1-7,10-11,19,21H,8-9H2/b7-6+