N-[(3R,4S)-6-acetamido-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-4-chloranyl-butanamide

Systemtic Name: N-[(3R,4S)-6-acetamido-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-4-chloranyl-butanamide Openeye Name: N-[(3R,4S)-6-acetamido-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl]-4-chloro-butanamide CAS Name: N-[(3R,4S)-6-acetamido-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-4-chlorobutanamide IUPAC Name: N-[(3R,4S)-6-acetamido-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl]-4-chlorobutanamide Traditional Name: N-[(3R,4S)-6-acetamido-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl]-4-chloro-butyramide Formula: C17H22ClN3O6 MolecularWeight: 399.82608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NC(=O)CCCCl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O6/c1-9(22)19-11-7-10-13(8-12(11)21(25)26)27-17(2,3)16(24)15(10)20-14(23)5-4-6-18/h7-8,15-16,24H,4-6H2,1-3H3,(H,19,22)(H,20,23)/t15-,16+/m0/s1