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

Systemtic Name: N-deuteriooxy-N-(1,1-dideuterio-2-methyl-pent-1-en-3-yl)-4-nitro-aniline Openeye Name: N-deuteriooxy-N-(3,3-dideuterio-1-ethyl-2-methyl-allyl)-4-nitro-aniline CAS Name: N-deuteriooxy-N-(1,1-dideuterio-2-methylpent-1-en-3-yl)-4-nitroaniline IUPAC Name: N-deuteriooxy-N-(1,1-dideuterio-2-methylpent-1-en-3-yl)-4-nitroaniline Traditional Name: deuteriooxy-(3,3-dideuterio-1-ethyl-2-methyl-allyl)-(4-nitrophenyl)amine Formula: C12H16N2O3 MolecularWeight: 239.285525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-4-12(9(2)3)13(15)10-5-7-11(8-6-10)14(16)17/h5-8,12,15H,2,4H2,1,3H3/i2D2,15D