3-[[(3R,4S)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]amino]cyclopent-2-en-1-one

Systemtic Name: 3-[[(3R,4S)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]amino]cyclopent-2-en-1-one Openeye Name: 3-[[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]amino]cyclopent-2-en-1-one CAS Name: 3-[[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-1-cyclopent-2-enone IUPAC Name: 3-[[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl]amino]cyclopent-2-en-1-one Traditional Name: 3-[[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]amino]cyclopent-2-en-1-one Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3=CC(=O)CC3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3=CC(=O)CC3)O)C

InChI

InChI=1S/C16H18N2O5/c1-16(2)15(20)14(17-9-3-5-11(19)7-9)12-8-10(18(21)22)4-6-13(12)23-16/h4,6-8,14-15,17,20H,3,5H2,1-2H3/t14-,15+/m0/s1