3-ethynyl-N-[(2-methoxy-5-nitro-phenyl)methyl]aniline

Systemtic Name: 3-ethynyl-N-[(2-methoxy-5-nitro-phenyl)methyl]aniline Openeye Name: 3-ethynyl-N-[(2-methoxy-5-nitro-phenyl)methyl]aniline CAS Name: 3-ethynyl-N-[(2-methoxy-5-nitrophenyl)methyl]aniline IUPAC Name: 3-ethynyl-N-[(2-methoxy-5-nitrophenyl)methyl]aniline Traditional Name: (3-ethynylphenyl)-(2-methoxy-5-nitro-benzyl)amine Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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