3-[(3R)-2-ethanoyl-3-(2-nitrophenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one

Systemtic Name: 3-[(3R)-2-ethanoyl-3-(2-nitrophenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3R)-2-acetyl-3-(2-nitrophenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3R)-2-acetyl-3-(2-nitrophenyl)-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3R)-2-acetyl-3-(2-nitrophenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5R)-1-acetyl-5-(2-nitrophenyl)-2-pyrazolin-3-yl]coumarin Formula: C20H15N3O5 MolecularWeight: 377.3502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5/c1-12(24)22-18(14-7-3-4-8-17(14)23(26)27)11-16(21-22)15-10-13-6-2-5-9-19(13)28-20(15)25/h2-10,18H,11H2,1H3/t18-/m1/s1