3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-N-(4-methoxy-2-nitro-phenyl)propanamide

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)CCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)CCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C21H27N3O5/c1-15-11-16(2)13-18(12-15)29-10-9-23(3)8-7-21(25)22-19-6-5-17(28-4)14-20(19)24(26)27/h5-6,11-14H,7-10H2,1-4H3,(H,22,25)