ethyl 4-[[(3R,4S)-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]amino]butanoate

Systemtic Name: ethyl 4-[[(3R,4S)-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]amino]butanoate Openeye Name: ethyl 4-[[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl]amino]butanoate CAS Name: 4-[[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl]amino]butanoate Traditional Name: 4-[[(3R,4S)-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl]amino]butyric acid ethyl ester Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1C(C(OC2=C1C=CC(=C2)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CCOC(=O)CCCN[C@@H]1[C@H](C(OC2=C1C=CC(=C2)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C17H24N2O6/c1-4-24-14(20)6-5-9-18-15-12-8-7-11(19(22)23)10-13(12)25-17(2,3)16(15)21/h7-8,10,15-16,18,21H,4-6,9H2,1-3H3/t15-,16+/m0/s1