2-[5-(cyanomethoxy)-4-methyl-3-[(4-nitrophenyl)methyl]-2-oxidanylidene-chromen-7-yl]oxyethanenitrile

Systemtic Name: 2-[5-(cyanomethoxy)-4-methyl-3-[(4-nitrophenyl)methyl]-2-oxidanylidene-chromen-7-yl]oxyethanenitrile Openeye Name: 2-[5-(cyanomethoxy)-4-methyl-3-[(4-nitrophenyl)methyl]-2-oxo-chromen-7-yl]oxyacetonitrile CAS Name: 2-[[5-(cyanomethoxy)-4-methyl-3-[(4-nitrophenyl)methyl]-2-oxo-1-benzopyran-7-yl]oxy]acetonitrile IUPAC Name: 2-[5-(cyanomethoxy)-4-methyl-3-[(4-nitrophenyl)methyl]-2-oxochromen-7-yl]oxyacetonitrile Traditional Name: 2-[5-(cyanomethoxy)-2-keto-4-methyl-3-(4-nitrobenzyl)chromen-7-yl]oxyacetonitrile Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC#N)OCC#N)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC#N)OCC#N)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O6/c1-13-17(10-14-2-4-15(5-3-14)24(26)27)21(25)30-19-12-16(28-8-6-22)11-18(20(13)19)29-9-7-23/h2-5,11-12H,8-10H2,1H3