N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]prop-2-en-1-amine

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]prop-2-en-1-amine Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]prop-2-en-1-amine CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-propen-1-amine IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]prop-2-en-1-amine Traditional Name: allyl-(4,5-dimethoxy-2-nitro-benzyl)amine Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNCC=C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNCC=C)[N+](=O)[O-])OC

InChI

InChI=1S/C12H16N2O4/c1-4-5-13-8-9-6-11(17-2)12(18-3)7-10(9)14(15)16/h4,6-7,13H,1,5,8H2,2-3H3