2-[(4-methyl-2,6-dinitro-phenyl)amino]ethylazanium

Systemtic Name: 2-[(4-methyl-2,6-dinitro-phenyl)amino]ethylazanium Openeye Name: 2-(4-methyl-2,6-dinitro-anilino)ethylammonium CAS Name: 2-(4-methyl-2,6-dinitroanilino)ethylammonium IUPAC Name: 2-(4-methyl-2,6-dinitroanilino)ethylazanium Traditional Name: 2-(4-methyl-2,6-dinitro-anilino)ethylammonium Formula: C9H13N4O4+ MolecularWeight: 241.22392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O4/c1-6-4-7(12(14)15)9(11-3-2-10)8(5-6)13(16)17/h4-5,11H,2-3,10H2,1H3/p+1