(4-methyl-2,6-dinitro-phenyl)-pyridin-3-yl-methanamine

Systemtic Name: (4-methyl-2,6-dinitro-phenyl)-pyridin-3-yl-methanamine Openeye Name: (4-methyl-2,6-dinitro-phenyl)-(3-pyridyl)methanamine CAS Name: (4-methyl-2,6-dinitrophenyl)-(3-pyridinyl)methanamine IUPAC Name: (4-methyl-2,6-dinitrophenyl)-pyridin-3-ylmethanamine Traditional Name: [(4-methyl-2,6-dinitro-phenyl)-(3-pyridyl)methyl]amine Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])C(C2=CN=CC=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])C(C2=CN=CC=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4/c1-8-5-10(16(18)19)12(11(6-8)17(20)21)13(14)9-3-2-4-15-7-9/h2-7,13H,14H2,1H3