(E)-3-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(4-benzyloxy-5-methoxy-2-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-5-methoxy-2-nitro-phenyl)-2-benzoyl-acrylonitrile Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C24H18N2O5/c1-30-22-13-19(12-20(15-25)24(27)18-10-6-3-7-11-18)21(26(28)29)14-23(22)31-16-17-8-4-2-5-9-17/h2-14H,16H2,1H3/b20-12+