[(E)-1-(3-cyanophenyl)-6-[methoxy(methyl)amino]-6-oxidanylidene-hex-1-en-3-yl] 4-nitrobenzoate

Systemtic Name: [(E)-1-(3-cyanophenyl)-6-[methoxy(methyl)amino]-6-oxidanylidene-hex-1-en-3-yl] 4-nitrobenzoate Openeye Name: [1-[(E)-2-(3-cyanophenyl)vinyl]-4-[methoxy(methyl)amino]-4-oxo-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-1-(3-cyanophenyl)-6-[methoxy(methyl)amino]-6-oxohex-1-en-3-yl] ester IUPAC Name: [(E)-1-(3-cyanophenyl)-6-[methoxy(methyl)amino]-6-oxohex-1-en-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-3-(3-cyanophenyl)-1-[3-keto-3-[methoxy(methyl)amino]propyl]allyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CCC(C=CC1=CC=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CN(C(=O)CCC(/C=C/C1=CC=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O6/c1-24(30-2)21(26)13-12-20(11-6-16-4-3-5-17(14-16)15-23)31-22(27)18-7-9-19(10-8-18)25(28)29/h3-11,14,20H,12-13H2,1-2H3/b11-6+