3-ethynyl-N-[(4-methoxy-3-nitro-phenyl)methyl]aniline

Systemtic Name: 3-ethynyl-N-[(4-methoxy-3-nitro-phenyl)methyl]aniline Openeye Name: 3-ethynyl-N-[(4-methoxy-3-nitro-phenyl)methyl]aniline CAS Name: 3-ethynyl-N-[(4-methoxy-3-nitrophenyl)methyl]aniline IUPAC Name: 3-ethynyl-N-[(4-methoxy-3-nitrophenyl)methyl]aniline Traditional Name: (3-ethynylphenyl)-(4-methoxy-3-nitro-benzyl)amine Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC=CC(=C2)C#C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC=CC(=C2)C#C)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3/c1-3-12-5-4-6-14(9-12)17-11-13-7-8-16(21-2)15(10-13)18(19)20/h1,4-10,17H,11H2,2H3