(E)-3-[3,4-bis(oxidanyl)phenyl]-2-(4-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3,4-bis(oxidanyl)phenyl]-2-(4-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,4-dihydroxyphenyl)-2-(4-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-[(4-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-2-(4-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-dihydroxyphenyl)-2-(4-nitrobenzoyl)acrylonitrile Formula: C16H10N2O5 MolecularWeight: 310.261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(=CC2=CC(=C(C=C2)O)O)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O5/c17-9-12(7-10-1-6-14(19)15(20)8-10)16(21)11-2-4-13(5-3-11)18(22)23/h1-8,19-20H/b12-7+