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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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