4-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acryloyl]benzonitrile Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H12N2O5/c1-24-16-9-12(8-14(17(16)21)19(22)23)4-7-15(20)13-5-2-11(10-18)3-6-13/h2-9,21H,1H3/b7-4+