N-[(4-methoxy-3-nitro-phenyl)methyl]prop-2-yn-1-amine

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)methyl]prop-2-yn-1-amine Openeye Name: N-[(4-methoxy-3-nitro-phenyl)methyl]prop-2-yn-1-amine CAS Name: N-[(4-methoxy-3-nitrophenyl)methyl]-2-propyn-1-amine IUPAC Name: N-[(4-methoxy-3-nitrophenyl)methyl]prop-2-yn-1-amine Traditional Name: (4-methoxy-3-nitro-benzyl)-propargyl-amine Formula: C11H12N2O3 MolecularWeight: 220.22458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3/c1-3-6-12-8-9-4-5-11(16-2)10(7-9)13(14)15/h1,4-5,7,12H,6,8H2,2H3