ethyl 5-methyl-3-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-3-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-3-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxylate CAS Name: 5-methyl-3-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-methyl-3-(2-nitrobenzyl)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1CC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1CC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C14H15N3O4/c1-3-21-14(18)13-9(2)15-16-11(13)8-10-6-4-5-7-12(10)17(19)20/h4-7H,3,8H2,1-2H3,(H,15,16)