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

Systemtic Name: 3-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzaldehyde Openeye Name: 3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzaldehyde CAS Name: 3-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde Traditional Name: 3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzaldehyde Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3O4/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