2-[4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C18H13ClN2O5 MolecularWeight: 372.75922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O5/c1-25-18-10-12(3-7-17(18)26-9-8-20)2-6-16(22)13-4-5-14(19)15(11-13)21(23)24/h2-7,10-11H,9H2,1H3/b6-2+