4-(2-nitroethyl)-2-oxidanyl-benzaldehyde

Systemtic Name: 4-(2-nitroethyl)-2-oxidanyl-benzaldehyde Openeye Name: 2-hydroxy-4-(2-nitroethyl)benzaldehyde CAS Name: 2-hydroxy-4-(2-nitroethyl)benzaldehyde IUPAC Name: 2-hydroxy-4-(2-nitroethyl)benzaldehyde Traditional Name: 2-hydroxy-4-(2-nitroethyl)benzaldehyde Formula: C9H9NO4 MolecularWeight: 195.17206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC[N+](=O)[O-])O)C=O

Isomeric SMILES

C1=CC(=C(C=C1CC[N+](=O)[O-])O)C=O

InChI

InChI=1S/C9H9NO4/c11-6-8-2-1-7(5-9(8)12)3-4-10(13)14/h1-2,5-6,12H,3-4H2