4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperazine-1-carbaldehyde Openeye Name: 4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]piperazine-1-carbaldehyde CAS Name: 4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]piperazine-1-carbaldehyde Traditional Name: 4-(4-hydroxy-3-methoxy-5-nitro-benzyl)piperazine-1-carbaldehyde Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])CN2CCN(CC2)C=O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])CN2CCN(CC2)C=O

InChI

InChI=1S/C13H17N3O5/c1-21-12-7-10(6-11(13(12)18)16(19)20)8-14-2-4-15(9-17)5-3-14/h6-7,9,18H,2-5,8H2,1H3