N-butyl-3-chloranyl-4-methyl-2,6-dinitro-aniline

Systemtic Name: N-butyl-3-chloranyl-4-methyl-2,6-dinitro-aniline Openeye Name: N-butyl-3-chloro-4-methyl-2,6-dinitro-aniline CAS Name: N-butyl-3-chloro-4-methyl-2,6-dinitroaniline IUPAC Name: N-butyl-3-chloro-4-methyl-2,6-dinitroaniline Traditional Name: butyl-(3-chloro-4-methyl-2,6-dinitro-phenyl)amine Formula: C11H14ClN3O4 MolecularWeight: 287.69956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C11H14ClN3O4/c1-3-4-5-13-10-8(14(16)17)6-7(2)9(12)11(10)15(18)19/h6,13H,3-5H2,1-2H3