3,4-dimethyl-2-[(3-nitrophenyl)methyl]pyrano[2,3-c]pyrazol-6-one

Systemtic Name: 3,4-dimethyl-2-[(3-nitrophenyl)methyl]pyrano[2,3-c]pyrazol-6-one Openeye Name: 3,4-dimethyl-2-[(3-nitrophenyl)methyl]pyrano[2,3-c]pyrazol-6-one CAS Name: 3,4-dimethyl-2-[(3-nitrophenyl)methyl]-6-pyrano[2,3-c]pyrazolone IUPAC Name: 3,4-dimethyl-2-[(3-nitrophenyl)methyl]pyrano[2,3-c]pyrazol-6-one Traditional Name: 3,4-dimethyl-2-(3-nitrobenzyl)pyrano[2,3-c]pyrazol-6-one Formula: C15H13N3O4 MolecularWeight: 299.28142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=NN(C(=C12)C)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=NN(C(=C12)C)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4/c1-9-6-13(19)22-15-14(9)10(2)17(16-15)8-11-4-3-5-12(7-11)18(20)21/h3-7H,8H2,1-2H3