[6-(butanoylamino)-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-3-yl] propanoate

Systemtic Name: [6-(butanoylamino)-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-3-yl] propanoate Openeye Name: [6-(butanoylamino)-2,2-dimethyl-7-nitro-4-(pentylamino)chroman-3-yl] propanoate CAS Name: propanoic acid [2,2-dimethyl-7-nitro-6-(1-oxobutylamino)-4-(pentylamino)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-(butanoylamino)-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-3-yl] propanoate Traditional Name: propionic acid [4-(amylamino)-6-butyramido-2,2-dimethyl-7-nitro-chroman-3-yl] ester Formula: C23H35N3O6 MolecularWeight: 449.5405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1C(C(OC2=CC(=C(C=C12)NC(=O)CCC)[N+](=O)[O-])(C)C)OC(=O)CC

Isomeric SMILES

CCCCCNC1C(C(OC2=CC(=C(C=C12)NC(=O)CCC)[N+](=O)[O-])(C)C)OC(=O)CC

InChI

InChI=1S/C23H35N3O6/c1-6-9-10-12-24-21-15-13-16(25-19(27)11-7-2)17(26(29)30)14-18(15)32-23(4,5)22(21)31-20(28)8-3/h13-14,21-22,24H,6-12H2,1-5H3,(H,25,27)