N-[(3-chlorophenyl)methyl]-2,4-dinitro-aniline

Systemtic Name: N-[(3-chlorophenyl)methyl]-2,4-dinitro-aniline Openeye Name: N-[(3-chlorophenyl)methyl]-2,4-dinitro-aniline CAS Name: N-[(3-chlorophenyl)methyl]-2,4-dinitroaniline IUPAC Name: N-[(3-chlorophenyl)methyl]-2,4-dinitroaniline Traditional Name: (3-chlorobenzyl)-(2,4-dinitrophenyl)amine Formula: C13H10ClN3O4 MolecularWeight: 307.6892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN3O4/c14-10-3-1-2-9(6-10)8-15-12-5-4-11(16(18)19)7-13(12)17(20)21/h1-7,15H,8H2