4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzaldehyde Openeye Name: 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzaldehyde CAS Name: 4-methoxy-3-[(3-nitro-1-pyrazolyl)methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzaldehyde Traditional Name: 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzaldehyde Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-19-11-3-2-9(8-16)6-10(11)7-14-5-4-12(13-14)15(17)18/h2-6,8H,7H2,1H3