4-but-3-ynoxy-5-methoxy-2-nitro-benzaldehyde

Systemtic Name: 4-but-3-ynoxy-5-methoxy-2-nitro-benzaldehyde Openeye Name: 4-but-3-ynoxy-5-methoxy-2-nitro-benzaldehyde CAS Name: 4-but-3-ynoxy-5-methoxy-2-nitrobenzaldehyde IUPAC Name: 4-but-3-ynoxy-5-methoxy-2-nitrobenzaldehyde Traditional Name: 4-but-3-ynoxy-5-methoxy-2-nitro-benzaldehyde Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCCC#C

Isomeric SMILES

COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCCC#C

InChI

InChI=1S/C12H11NO5/c1-3-4-5-18-12-7-10(13(15)16)9(8-14)6-11(12)17-2/h1,6-8H,4-5H2,2H3