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

Systemtic Name: N-deuteriooxy-N-(1,1-dideuterio-2,4-dimethyl-pent-1-en-3-yl)-4-nitro-aniline Openeye Name: N-deuteriooxy-N-(3,3-dideuterio-1-isopropyl-2-methyl-allyl)-4-nitro-aniline CAS Name: N-deuteriooxy-N-(1,1-dideuterio-2,4-dimethylpent-1-en-3-yl)-4-nitroaniline IUPAC Name: N-deuteriooxy-N-(1,1-dideuterio-2,4-dimethylpent-1-en-3-yl)-4-nitroaniline Traditional Name: deuteriooxy-(3,3-dideuterio-1-isopropyl-2-methyl-allyl)-(4-nitrophenyl)amine Formula: C13H18N2O3 MolecularWeight: 253.312105

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C13H18N2O3/c1-9(2)13(10(3)4)14(16)11-5-7-12(8-6-11)15(17)18/h5-8,10,13,16H,1H2,2-4H3/i1D2,16D