methyl 2-[(2S,3S,4S)-3-chloranyl-3-nitro-4-oxidanyl-8-prop-2-enyl-2,4-dihydrochromen-2-yl]benzoate

Systemtic Name: methyl 2-[(2S,3S,4S)-3-chloranyl-3-nitro-4-oxidanyl-8-prop-2-enyl-2,4-dihydrochromen-2-yl]benzoate Openeye Name: methyl 2-[(2S,3S,4S)-8-allyl-3-chloro-4-hydroxy-3-nitro-chroman-2-yl]benzoate CAS Name: 2-[(2S,3S,4S)-3-chloro-4-hydroxy-3-nitro-8-prop-2-enyl-3,4-dihydro-2H-1-benzopyran-2-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2S,3S,4S)-3-chloro-4-hydroxy-3-nitro-8-prop-2-enyl-2,4-dihydrochromen-2-yl]benzoate Traditional Name: 2-[(2S,3S,4S)-8-allyl-3-chloro-4-hydroxy-3-nitro-chroman-2-yl]benzoic acid methyl ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2C(C(C3=C(O2)C(=CC=C3)CC=C)O)([N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1[C@H]2[C@@]([C@H](C3=C(O2)C(=CC=C3)CC=C)O)([N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClNO6/c1-3-7-12-8-6-11-15-16(12)28-18(20(21,17(15)23)22(25)26)13-9-4-5-10-14(13)19(24)27-2/h3-6,8-11,17-18,23H,1,7H2,2H3/t17-,18-,20+/m0/s1