3-(4-nitrophenyl)carbonyl-5,7-dipropoxy-chromen-2-one

Systemtic Name: 3-(4-nitrophenyl)carbonyl-5,7-dipropoxy-chromen-2-one Openeye Name: 3-(4-nitrobenzoyl)-5,7-dipropoxy-chromen-2-one CAS Name: 3-[(4-nitrophenyl)-oxomethyl]-5,7-dipropoxy-1-benzopyran-2-one IUPAC Name: 3-(4-nitrobenzoyl)-5,7-dipropoxychromen-2-one Traditional Name: 3-(4-nitrobenzoyl)-5,7-dipropoxy-coumarin Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C2C=C(C(=O)OC2=C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=CC(=C2C=C(C(=O)OC2=C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCCC

InChI

InChI=1S/C22H21NO7/c1-3-9-28-16-11-19(29-10-4-2)17-13-18(22(25)30-20(17)12-16)21(24)14-5-7-15(8-6-14)23(26)27/h5-8,11-13H,3-4,9-10H2,1-2H3