(2S,3S,4S)-3-chloranyl-2-(4-methoxy-3-nitro-phenyl)-3-nitro-8-prop-2-enyl-2,4-dihydrochromen-4-ol

Systemtic Name: (2S,3S,4S)-3-chloranyl-2-(4-methoxy-3-nitro-phenyl)-3-nitro-8-prop-2-enyl-2,4-dihydrochromen-4-ol Openeye Name: (2S,3S,4S)-8-allyl-3-chloro-2-(4-methoxy-3-nitro-phenyl)-3-nitro-chroman-4-ol CAS Name: (2S,3S,4S)-3-chloro-2-(4-methoxy-3-nitrophenyl)-3-nitro-8-prop-2-enyl-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (2S,3S,4S)-3-chloro-2-(4-methoxy-3-nitrophenyl)-3-nitro-8-prop-2-enyl-2,4-dihydrochromen-4-ol Traditional Name: (2S,3S,4S)-8-allyl-3-chloro-2-(4-methoxy-3-nitro-phenyl)-3-nitro-chroman-4-ol Formula: C19H17ClN2O7 MolecularWeight: 420.80048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C3=C(O2)C(=CC=C3)CC=C)O)([N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@@]([C@H](C3=C(O2)C(=CC=C3)CC=C)O)([N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O7/c1-3-5-11-6-4-7-13-16(11)29-18(19(20,17(13)23)22(26)27)12-8-9-15(28-2)14(10-12)21(24)25/h3-4,6-10,17-18,23H,1,5H2,2H3/t17-,18-,19+/m0/s1