2-[4-(aminomethyl)-2-nitro-phenoxy]-N-propyl-propanamide

Systemtic Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-propyl-propanamide Openeye Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-propyl-propanamide CAS Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-N-propylpropanamide IUPAC Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-N-propylpropanamide Traditional Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-propyl-propionamide Formula: C13H19N3O4 MolecularWeight: 281.30766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1)CN)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C(C)OC1=C(C=C(C=C1)CN)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-3-6-15-13(17)9(2)20-12-5-4-10(8-14)7-11(12)16(18)19/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,15,17)