3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzaldehyde

Systemtic Name: 3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzaldehyde Openeye Name: 3-methoxy-4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]benzaldehyde CAS Name: 3-methoxy-4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]benzaldehyde IUPAC Name: 3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzaldehyde Traditional Name: 3-methoxy-4-(2-nitro-4-piperidinosulfonyl-phenoxy)benzaldehyde Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-27-19-11-14(13-22)5-7-18(19)28-17-8-6-15(12-16(17)21(23)24)29(25,26)20-9-3-2-4-10-20/h5-8,11-13H,2-4,9-10H2,1H3