(E)-2-cyano-3-[3-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[3-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[3-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-[(4-nitrophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[3-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[3-(4-nitrobenzyl)oxyphenyl]acrylic acid Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C=C(C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C17H12N2O5/c18-10-14(17(20)21)8-13-2-1-3-16(9-13)24-11-12-4-6-15(7-5-12)19(22)23/h1-9H,11H2,(H,20,21)/b14-8+