(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-o-toluoyl-acrylonitrile Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H14N2O5/c1-11-5-3-4-6-14(11)17(21)13(10-19)7-12-8-15(20(23)24)18(22)16(9-12)25-2/h3-9,22H,1-2H3/b13-7+