2,5-dimethyl-7-[(4-nitrophenyl)methoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one

Systemtic Name: 2,5-dimethyl-7-[(4-nitrophenyl)methoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one Openeye Name: 2,5-dimethyl-7-[(4-nitrophenyl)methoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one CAS Name: 2,5-dimethyl-7-[(4-nitrophenyl)methoxy]-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-4-one IUPAC Name: 2,5-dimethyl-7-[(4-nitrophenyl)methoxy]-3-(1-phenylpyrazol-4-yl)chromen-4-one Traditional Name: 2,5-dimethyl-7-(4-nitrobenzyl)oxy-3-(1-phenylpyrazol-4-yl)chromone Formula: C27H21N3O5 MolecularWeight: 467.47274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N3O5/c1-17-12-23(34-16-19-8-10-22(11-9-19)30(32)33)13-24-25(17)27(31)26(18(2)35-24)20-14-28-29(15-20)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3