N-deuteriooxy-N-(1,1-dideuterio-2,4,4-trimethyl-pent-1-en-3-yl)-4-nitro-aniline

Systemtic Name: N-deuteriooxy-N-(1,1-dideuterio-2,4,4-trimethyl-pent-1-en-3-yl)-4-nitro-aniline Openeye Name: N-(1-tert-butyl-3,3-dideuterio-2-methyl-allyl)-N-deuteriooxy-4-nitro-aniline CAS Name: N-deuteriooxy-N-(1,1-dideuterio-2,4,4-trimethylpent-1-en-3-yl)-4-nitroaniline IUPAC Name: N-deuteriooxy-N-(1,1-dideuterio-2,4,4-trimethylpent-1-en-3-yl)-4-nitroaniline Traditional Name: (1-tert-butyl-3,3-dideuterio-2-methyl-allyl)-deuteriooxy-(4-nitrophenyl)amine Formula: C14H20N2O3 MolecularWeight: 267.338685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-10(2)13(14(3,4)5)15(17)11-6-8-12(9-7-11)16(18)19/h6-9,13,17H,1H2,2-5H3/i1D2,17D