4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzaldehyde Openeye Name: 4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzaldehyde CAS Name: 4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzaldehyde Traditional Name: 4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzaldehyde Formula: C11H10N4O4 MolecularWeight: 262.2215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O4/c1-19-10-3-2-8(6-16)4-9(10)5-14-7-12-11(13-14)15(17)18/h2-4,6-7H,5H2,1H3