3-(4-chloranyl-3-nitro-phenoxy)-N-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine

Systemtic Name: 3-(4-chloranyl-3-nitro-phenoxy)-N-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine Openeye Name: 3-(4-chloro-3-nitro-phenoxy)-N-[(7-methoxychroman-2-yl)methyl]propan-1-amine CAS Name: 3-(4-chloro-3-nitrophenoxy)-N-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-1-propanamine IUPAC Name: 3-(4-chloro-3-nitrophenoxy)-N-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine Traditional Name: 3-(4-chloro-3-nitro-phenoxy)propyl-[(7-methoxychroman-2-yl)methyl]amine Formula: C20H23ClN2O5 MolecularWeight: 406.86002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(O2)CNCCCOC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=C1

Isomeric SMILES

COC1=CC2=C(CCC(O2)CNCCCOC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H23ClN2O5/c1-26-15-5-3-14-4-6-17(28-20(14)12-15)13-22-9-2-10-27-16-7-8-18(21)19(11-16)23(24)25/h3,5,7-8,11-12,17,22H,2,4,6,9-10,13H2,1H3