2-(2-bromanyl-4-nitro-phenyl)-8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-bis(oxidanyl)chromen-4-one

Systemtic Name: 2-(2-bromanyl-4-nitro-phenyl)-8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-bis(oxidanyl)chromen-4-one Openeye Name: 2-(2-bromo-4-nitro-phenyl)-5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]chromen-4-one CAS Name: 2-(2-bromo-4-nitrophenyl)-5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-1-benzopyran-4-one IUPAC Name: 2-(2-bromo-4-nitrophenyl)-5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one Traditional Name: 2-(2-bromo-4-nitro-phenyl)-5,7-dihydroxy-8-(1-methyl-2-methylol-pyrrolidin-3-yl)chromone Formula: C21H19BrN2O7 MolecularWeight: 491.28876

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)[N+](=O)[O-])Br)O)O

Isomeric SMILES

CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)[N+](=O)[O-])Br)O)O

InChI

InChI=1S/C21H19BrN2O7/c1-23-5-4-12(14(23)9-25)19-15(26)7-16(27)20-17(28)8-18(31-21(19)20)11-3-2-10(24(29)30)6-13(11)22/h2-3,6-8,12,14,25-27H,4-5,9H2,1H3