4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]butan-2-one

Systemtic Name: 4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]butan-2-one Openeye Name: 4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]butan-2-one CAS Name: 4-[2-(4-methoxyphenyl)-4-nitrophenoxy]-2-butanone IUPAC Name: 4-[2-(4-methoxyphenyl)-4-nitrophenoxy]butan-2-one Traditional Name: 4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]butan-2-one Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCOC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)CCOC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H17NO5/c1-12(19)9-10-23-17-8-5-14(18(20)21)11-16(17)13-3-6-15(22-2)7-4-13/h3-8,11H,9-10H2,1-2H3