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

Systemtic Name: N-[(3R,4S)-2,2-dimethyl-7-nitro-3-oxidanyl-4-(4-phenylbutylamino)-3,4-dihydrochromen-6-yl]ethanamide Openeye Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(4-phenylbutylamino)chroman-6-yl]acetamide CAS Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(4-phenylbutylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide IUPAC Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(4-phenylbutylamino)-3,4-dihydrochromen-6-yl]acetamide Traditional Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-4-(4-phenylbutylamino)chroman-6-yl]acetamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)[C@@H]([C@H](C(O2)(C)C)O)NCCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O5/c1-15(27)25-18-13-17-20(14-19(18)26(29)30)31-23(2,3)22(28)21(17)24-12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,13-14,21-22,24,28H,7-8,11-12H2,1-3H3,(H,25,27)/t21-,22+/m0/s1