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

Systemtic Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-cyclopropyl-propanamide Openeye Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-cyclopropyl-propanamide CAS Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-N-cyclopropylpropanamide IUPAC Name: 2-[4-(aminomethyl)-2-nitrophenoxy]-N-cyclopropylpropanamide Traditional Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N-cyclopropyl-propionamide Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2)CN)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2)CN)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-8(13(17)15-10-3-4-10)20-12-5-2-9(7-14)6-11(12)16(18)19/h2,5-6,8,10H,3-4,7,14H2,1H3,(H,15,17)