2-methyl-4-[[6-[(3-nitrophenyl)methylamino]hexylamino]methyl]phenol

Systemtic Name: 2-methyl-4-[[6-[(3-nitrophenyl)methylamino]hexylamino]methyl]phenol Openeye Name: 2-methyl-4-[[6-[(3-nitrophenyl)methylamino]hexylamino]methyl]phenol CAS Name: 2-methyl-4-[[6-[(3-nitrophenyl)methylamino]hexylamino]methyl]phenol IUPAC Name: 2-methyl-4-[[6-[(3-nitrophenyl)methylamino]hexylamino]methyl]phenol Traditional Name: 2-methyl-4-[[6-[(3-nitrobenzyl)amino]hexylamino]methyl]phenol Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNCCCCCCNCC2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=CC(=C1)CNCCCCCCNCC2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H29N3O3/c1-17-13-19(9-10-21(17)25)16-23-12-5-3-2-4-11-22-15-18-7-6-8-20(14-18)24(26)27/h6-10,13-14,22-23,25H,2-5,11-12,15-16H2,1H3