3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]pentane-2,4-dione

Systemtic Name: 3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]pentane-2,4-dione Openeye Name: 3-[(3,4-dihydroxy-5-nitro-phenyl)methylene]pentane-2,4-dione CAS Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione IUPAC Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione Traditional Name: 3-(3,4-dihydroxy-5-nitro-benzylidene)pentane-2,4-dione Formula: C24H22N2O12 MolecularWeight: 530.43768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H11NO6/c2*1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h2*3-5,16-17H,1-2H3