4-[(E)-3,5-bis(oxidanylidene)hex-1-enyl]-2-nitro-benzaldehyde

Systemtic Name: 4-[(E)-3,5-bis(oxidanylidene)hex-1-enyl]-2-nitro-benzaldehyde Openeye Name: 4-[(E)-3,5-dioxohex-1-enyl]-2-nitro-benzaldehyde CAS Name: 4-[(E)-3,5-dioxohex-1-enyl]-2-nitrobenzaldehyde IUPAC Name: 4-[(E)-3,5-dioxohex-1-enyl]-2-nitrobenzaldehyde Traditional Name: 4-[(E)-3,5-diketohex-1-enyl]-2-nitro-benzaldehyde Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C=CC1=CC(=C(C=C1)C=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO5/c1-9(16)6-12(17)5-3-10-2-4-11(8-15)13(7-10)14(18)19/h2-5,7-8H,6H2,1H3/b5-3+