N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethyl-4-nitro-phenoxy)-N-methyl-propan-1-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethyl-4-nitro-phenoxy)-N-methyl-propan-1-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethyl-4-nitro-phenoxy)-N-methyl-propan-1-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethyl-4-nitrophenoxy)-N-methyl-1-propanamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethyl-4-nitrophenoxy)-N-methylpropan-1-amine Traditional Name: 3-(3-ethyl-4-nitro-phenoxy)propyl-methyl-veratryl-amine Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCN(C)CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCN(C)CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O5/c1-5-17-14-18(8-9-19(17)23(24)25)28-12-6-11-22(2)15-16-7-10-20(26-3)21(13-16)27-4/h7-10,13-14H,5-6,11-12,15H2,1-4H3