N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-6-yl]methanamide

Systemtic Name: N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-6-yl]methanamide Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-yl]formamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]formamide IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromen-6-yl]formamide Traditional Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-yl]formamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])NC=O)NCCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])NC=O)NCCC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H23N3O5/c1-20(2)19(25)18(21-9-8-13-6-4-3-5-7-13)14-10-15(22-12-24)16(23(26)27)11-17(14)28-20/h3-7,10-12,18-19,21,25H,8-9H2,1-2H3,(H,22,24)