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

Systemtic Name: 4-chloranyl-3-methyl-2,6-dinitro-N-pentyl-aniline Openeye Name: 4-chloro-3-methyl-2,6-dinitro-N-pentyl-aniline CAS Name: 4-chloro-3-methyl-2,6-dinitro-N-pentylaniline IUPAC Name: 4-chloro-3-methyl-2,6-dinitro-N-pentylaniline Traditional Name: amyl-(4-chloro-3-methyl-2,6-dinitro-phenyl)amine Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=C(C=C1[N+](=O)[O-])Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C(=C(C=C1[N+](=O)[O-])Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16ClN3O4/c1-3-4-5-6-14-11-10(15(17)18)7-9(13)8(2)12(11)16(19)20/h7,14H,3-6H2,1-2H3