3-nitro-N-[(4-prop-2-ynoxyphenyl)methyl]aniline

Systemtic Name: 3-nitro-N-[(4-prop-2-ynoxyphenyl)methyl]aniline Openeye Name: 3-nitro-N-[(4-prop-2-ynoxyphenyl)methyl]aniline CAS Name: 3-nitro-N-[(4-prop-2-ynoxyphenyl)methyl]aniline IUPAC Name: 3-nitro-N-[(4-prop-2-ynoxyphenyl)methyl]aniline Traditional Name: (3-nitrophenyl)-(4-propargyloxybenzyl)amine Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCOC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]

InChI

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