(2S,3R)-3-chloranyl-2-(5-methoxy-2-nitro-phenyl)-3-nitro-8-prop-2-enyl-2H-chromen-4-one

Systemtic Name: (2S,3R)-3-chloranyl-2-(5-methoxy-2-nitro-phenyl)-3-nitro-8-prop-2-enyl-2H-chromen-4-one Openeye Name: (2S,3R)-8-allyl-3-chloro-2-(5-methoxy-2-nitro-phenyl)-3-nitro-chroman-4-one CAS Name: (2S,3R)-3-chloro-2-(5-methoxy-2-nitrophenyl)-3-nitro-8-prop-2-enyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2S,3R)-3-chloro-2-(5-methoxy-2-nitrophenyl)-3-nitro-8-prop-2-enyl-2H-chromen-4-one Traditional Name: (2S,3R)-8-allyl-3-chloro-2-(5-methoxy-2-nitro-phenyl)-3-nitro-chroman-4-one Formula: C19H15ClN2O7 MolecularWeight: 418.7846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O7/c1-3-5-11-6-4-7-13-16(11)29-18(19(20,17(13)23)22(26)27)14-10-12(28-2)8-9-15(14)21(24)25/h3-4,6-10,18H,1,5H2,2H3/t18-,19+/m0/s1