4-[(3,5-dinitrophenyl)methyl]aniline

Systemtic Name: 4-[(3,5-dinitrophenyl)methyl]aniline Openeye Name: 4-[(3,5-dinitrophenyl)methyl]aniline CAS Name: 4-[(3,5-dinitrophenyl)methyl]aniline IUPAC Name: 4-[(3,5-dinitrophenyl)methyl]aniline Traditional Name: [4-(3,5-dinitrobenzyl)phenyl]amine Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=CC=C1CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C13H11N3O4/c14-11-3-1-9(2-4-11)5-10-6-12(15(17)18)8-13(7-10)16(19)20/h1-4,6-8H,5,14H2