(E)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-(4-nitrophenyl)acrylonitrile Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C16H11ClN2O4/c1-23-15-8-10(7-14(17)16(15)20)6-12(9-18)11-2-4-13(5-3-11)19(21)22/h2-8,20H,1H3/b12-6-