ethyl 4-[[(3R,4S)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]amino]butanoate

Systemtic Name: ethyl 4-[[(3R,4S)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]amino]butanoate Openeye Name: ethyl 4-[[(3R,4S)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]amino]butanoate CAS Name: 4-[[(3R,4S)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[(3R,4S)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-chromen-4-yl]amino]butanoate Traditional Name: 4-[[(3R,4S)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]amino]butyric acid ethyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-3-23-14(19)5-4-8-17-15-12-9-11(18(21)22)6-7-13(12)24-10(2)16(15)20/h6-7,9-10,15-17,20H,3-5,8H2,1-2H3/t10?,15-,16-/m0/s1