N-deuteriooxy-N-[3,3-dideuterio-2-methyl-1-(4-methylphenyl)prop-2-enyl]-4-nitro-aniline

Systemtic Name: N-deuteriooxy-N-[3,3-dideuterio-2-methyl-1-(4-methylphenyl)prop-2-enyl]-4-nitro-aniline Openeye Name: N-deuteriooxy-N-[3,3-dideuterio-2-methyl-1-(p-tolyl)allyl]-4-nitro-aniline CAS Name: N-deuteriooxy-N-[3,3-dideuterio-2-methyl-1-(4-methylphenyl)prop-2-enyl]-4-nitroaniline IUPAC Name: N-deuteriooxy-N-[3,3-dideuterio-2-methyl-1-(4-methylphenyl)prop-2-enyl]-4-nitroaniline Traditional Name: deuteriooxy-[3,3-dideuterio-2-methyl-1-(p-tolyl)allyl]-(4-nitrophenyl)amine Formula: C17H18N2O3 MolecularWeight: 301.354905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=C)C)N(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

[2H]C(=C(C)C(C1=CC=C(C=C1)C)N(C2=CC=C(C=C2)[N+](=O)[O-])O[2H])[2H]

InChI

InChI=1S/C17H18N2O3/c1-12(2)17(14-6-4-13(3)5-7-14)18(20)15-8-10-16(11-9-15)19(21)22/h4-11,17,20H,1H2,2-3H3/i1D2,20D