methyl 4-[3-(morpholin-4-ylmethyl)-5-(3-nitrophenyl)furan-2-yl]benzoate

Systemtic Name: methyl 4-[3-(morpholin-4-ylmethyl)-5-(3-nitrophenyl)furan-2-yl]benzoate Openeye Name: methyl 4-[3-(morpholinomethyl)-5-(3-nitrophenyl)-2-furyl]benzoate CAS Name: 4-[3-(4-morpholinylmethyl)-5-(3-nitrophenyl)-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(morpholin-4-ylmethyl)-5-(3-nitrophenyl)furan-2-yl]benzoate Traditional Name: 4-[3-(morpholinomethyl)-5-(3-nitrophenyl)-2-furyl]benzoic acid methyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])CN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])CN4CCOCC4

InChI

InChI=1S/C23H22N2O6/c1-29-23(26)17-7-5-16(6-8-17)22-19(15-24-9-11-30-12-10-24)14-21(31-22)18-3-2-4-20(13-18)25(27)28/h2-8,13-14H,9-12,15H2,1H3