2-(4-nitrophenyl)-7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]chromen-4-one

Systemtic Name: 2-(4-nitrophenyl)-7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]chromen-4-one Openeye Name: 7-[2-hydroxy-3-(isopropylamino)propoxy]-2-(4-nitrophenyl)chromen-4-one CAS Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-(4-nitrophenyl)-1-benzopyran-4-one IUPAC Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-(4-nitrophenyl)chromen-4-one Traditional Name: 7-[2-hydroxy-3-(isopropylamino)propoxy]-2-(4-nitrophenyl)chromone Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H22N2O6/c1-13(2)22-11-16(24)12-28-17-7-8-18-19(25)10-20(29-21(18)9-17)14-3-5-15(6-4-14)23(26)27/h3-10,13,16,22,24H,11-12H2,1-2H3