ethyl 2-methyl-8a-morpholin-4-yl-4-(3-nitrophenyl)-4,4a,5,6,7,8-hexahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-methyl-8a-morpholin-4-yl-4-(3-nitrophenyl)-4,4a,5,6,7,8-hexahydrochromene-3-carboxylate Openeye Name: ethyl 2-methyl-8a-morpholino-4-(3-nitrophenyl)-4,4a,5,6,7,8-hexahydrochromene-3-carboxylate CAS Name: 2-methyl-8a-(4-morpholinyl)-4-(3-nitrophenyl)-4,4a,5,6,7,8-hexahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-8a-morpholin-4-yl-4-(3-nitrophenyl)-4,4a,5,6,7,8-hexahydrochromene-3-carboxylate Traditional Name: 2-methyl-8a-morpholino-4-(3-nitrophenyl)-4,4a,5,6,7,8-hexahydrochromene-3-carboxylic acid ethyl ester Formula: C23H30N2O6 MolecularWeight: 430.4941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2(CCCCC2C1C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2(CCCCC2C1C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4)C

InChI

InChI=1S/C23H30N2O6/c1-3-30-22(26)20-16(2)31-23(24-11-13-29-14-12-24)10-5-4-9-19(23)21(20)17-7-6-8-18(15-17)25(27)28/h6-8,15,19,21H,3-5,9-14H2,1-2H3