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

Systemtic Name: 3-chloranyl-4-methyl-2,6-dinitro-N-pentyl-aniline Openeye Name: 3-chloro-4-methyl-2,6-dinitro-N-pentyl-aniline CAS Name: 3-chloro-4-methyl-2,6-dinitro-N-pentylaniline IUPAC Name: 3-chloro-4-methyl-2,6-dinitro-N-pentylaniline Traditional Name: amyl-(3-chloro-4-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/c1-3-4-5-6-14-11-9(15(17)18)7-8(2)10(13)12(11)16(19)20/h7,14H,3-6H2,1-2H3