N-deuteriooxy-N-(4,4-dideuterio-3-methyl-1-phenyl-but-3-en-2-yl)-4-nitro-aniline

Systemtic Name: N-deuteriooxy-N-(4,4-dideuterio-3-methyl-1-phenyl-but-3-en-2-yl)-4-nitro-aniline Openeye Name: N-(1-benzyl-3,3-dideuterio-2-methyl-allyl)-N-deuteriooxy-4-nitro-aniline CAS Name: N-deuteriooxy-N-(4,4-dideuterio-3-methyl-1-phenylbut-3-en-2-yl)-4-nitroaniline IUPAC Name: N-deuteriooxy-N-(4,4-dideuterio-3-methyl-1-phenylbut-3-en-2-yl)-4-nitroaniline Traditional Name: (1-benzyl-3,3-dideuterio-2-methyl-allyl)-deuteriooxy-(4-nitrophenyl)amine Formula: C17H18N2O3 MolecularWeight: 301.354905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C(=C(C)C(CC1=CC=CC=C1)N(C2=CC=C(C=C2)[N+](=O)[O-])O[2H])[2H]

InChI

InChI=1S/C17H18N2O3/c1-13(2)17(12-14-6-4-3-5-7-14)18(20)15-8-10-16(11-9-15)19(21)22/h3-11,17,20H,1,12H2,2H3/i1D2,20D