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

Systemtic Name: N-[(3R,4S)-7-acetamido-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-4-chloranyl-butanamide Openeye Name: N-[(3R,4S)-7-acetamido-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]-4-chloro-butanamide CAS Name: N-[(3R,4S)-7-acetamido-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-4-chlorobutanamide IUPAC Name: N-[(3R,4S)-7-acetamido-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl]-4-chlorobutanamide Traditional Name: N-[(3R,4S)-7-acetamido-3-hydroxy-2,2-dimethyl-6-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(C(C(OC2=C1)(C)C)O)NC(=O)CCCCl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2[C@@H]([C@H](C(OC2=C1)(C)C)O)NC(=O)CCCCl)[N+](=O)[O-]

InChI

InChI=1S/C17H22ClN3O6/c1-9(22)19-11-8-13-10(7-12(11)21(25)26)15(16(24)17(2,3)27-13)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