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

Systemtic Name: 3-methoxy-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzaldehyde Openeye Name: 3-methoxy-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzaldehyde CAS Name: 3-methoxy-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]benzaldehyde IUPAC Name: 3-methoxy-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)benzaldehyde Traditional Name: 3-methoxy-4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)benzaldehyde Formula: C18H18N2O7S MolecularWeight: 406.40972

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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)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-26-18-10-13(12-21)4-6-17(18)27-16-7-5-14(11-15(16)20(22)23)28(24,25)19-8-2-3-9-19/h4-7,10-12H,2-3,8-9H2,1H3