3-[(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzaldehyde Openeye Name: 3-[(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzaldehyde CAS Name: 3-[(4-chloro-5-methyl-3-nitro-1-pyrazolyl)methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde Traditional Name: 3-[(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzaldehyde Formula: C13H12ClN3O4 MolecularWeight: 309.70508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C=O)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)C=O)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O4/c1-8-12(14)13(17(19)20)15-16(8)6-10-5-9(7-18)3-4-11(10)21-2/h3-5,7H,6H2,1-2H3