N-[5-(2-chloranyl-4-methyl-phenoxy)-2,4-dinitro-phenyl]piperidin-1-amine

Systemtic Name: N-[5-(2-chloranyl-4-methyl-phenoxy)-2,4-dinitro-phenyl]piperidin-1-amine Openeye Name: N-[5-(2-chloro-4-methyl-phenoxy)-2,4-dinitro-phenyl]piperidin-1-amine CAS Name: N-[5-(2-chloro-4-methylphenoxy)-2,4-dinitrophenyl]-1-piperidinamine IUPAC Name: N-[5-(2-chloro-4-methylphenoxy)-2,4-dinitrophenyl]piperidin-1-amine Traditional Name: [5-(2-chloro-4-methyl-phenoxy)-2,4-dinitro-phenyl]-piperidino-amine Formula: C18H19ClN4O5 MolecularWeight: 406.82026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN4O5/c1-12-5-6-17(13(19)9-12)28-18-10-14(20-21-7-3-2-4-8-21)15(22(24)25)11-16(18)23(26)27/h5-6,9-11,20H,2-4,7-8H2,1H3