3,4-dinitro-N-(phenylmethyl)aniline

Systemtic Name: 3,4-dinitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-3,4-dinitro-aniline CAS Name: 3,4-dinitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-3,4-dinitroaniline Traditional Name: benzyl-(3,4-dinitrophenyl)amine Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4/c17-15(18)12-7-6-11(8-13(12)16(19)20)14-9-10-4-2-1-3-5-10/h1-8,14H,9H2