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

Systemtic Name: N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(3-phenylpropylamino)-3,4-dihydrochromen-6-yl]ethanamide Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(3-phenylpropylamino)chroman-6-yl]acetamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(3-phenylpropylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(3-phenylpropylamino)-3,4-dihydrochromen-6-yl]acetamide Traditional Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(3-phenylpropylamino)chroman-6-yl]acetamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-14(26)24-17-12-16-19(13-18(17)25(28)29)30-22(2,3)21(27)20(16)23-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13,20-21,23,27H,7,10-11H2,1-3H3,(H,24,26)