3-nitro-N-[(2-prop-2-ynoxyphenyl)methyl]aniline

Systemtic Name: 3-nitro-N-[(2-prop-2-ynoxyphenyl)methyl]aniline Openeye Name: 3-nitro-N-[(2-prop-2-ynoxyphenyl)methyl]aniline CAS Name: 3-nitro-N-[(2-prop-2-ynoxyphenyl)methyl]aniline IUPAC Name: 3-nitro-N-[(2-prop-2-ynoxyphenyl)methyl]aniline Traditional Name: (3-nitrophenyl)-(2-propargyloxybenzyl)amine Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1CNC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCOC1=CC=CC=C1CNC2=CC(=CC=C2)[N+](=O)[O-]

InChI

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