2-methyl-3-[2-nitro-4-[(propan-2-ylamino)methyl]phenoxy]propanamide

Systemtic Name: 2-methyl-3-[2-nitro-4-[(propan-2-ylamino)methyl]phenoxy]propanamide Openeye Name: 3-[4-[(isopropylamino)methyl]-2-nitro-phenoxy]-2-methyl-propanamide CAS Name: 2-methyl-3-[2-nitro-4-[(propan-2-ylamino)methyl]phenoxy]propanamide IUPAC Name: 2-methyl-3-[2-nitro-4-[(propan-2-ylamino)methyl]phenoxy]propanamide Traditional Name: 3-[4-[(isopropylamino)methyl]-2-nitro-phenoxy]-2-methyl-propionamide Formula: C14H21N3O4 MolecularWeight: 295.33424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC(=C(C=C1)OCC(C)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC1=CC(=C(C=C1)OCC(C)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4/c1-9(2)16-7-11-4-5-13(12(6-11)17(19)20)21-8-10(3)14(15)18/h4-6,9-10,16H,7-8H2,1-3H3,(H2,15,18)