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

Systemtic Name: N-[(3R,4S)-2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-6-yl]ethanamide Openeye Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-yl]acetamide CAS Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide IUPAC Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromen-6-yl]acetamide Traditional Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-yl]acetamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)[C@@H]([C@H](C(O2)(C)C)O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-13(25)23-16-11-15-18(12-17(16)24(27)28)29-21(2,3)20(26)19(15)22-10-9-14-7-5-4-6-8-14/h4-8,11-12,19-20,22,26H,9-10H2,1-3H3,(H,23,25)/t19-,20+/m0/s1