1-cyclopropyl-3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methyl]but-3-ene-1,2-dione

Systemtic Name: 1-cyclopropyl-3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methyl]but-3-ene-1,2-dione Openeye Name: 1-cyclopropyl-3-[(3,4-dihydroxy-5-nitro-phenyl)methyl]but-3-ene-1,2-dione CAS Name: 1-cyclopropyl-3-[(3,4-dihydroxy-5-nitrophenyl)methyl]-3-butene-1,2-dione IUPAC Name: 1-cyclopropyl-3-[(3,4-dihydroxy-5-nitrophenyl)methyl]but-3-ene-1,2-dione Traditional Name: 1-cyclopropyl-3-(3,4-dihydroxy-5-nitro-benzyl)but-3-ene-1,2-dione Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C(=O)C2CC2

Isomeric SMILES

C=C(CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C(=O)C2CC2

InChI

InChI=1S/C14H13NO6/c1-7(12(17)13(18)9-2-3-9)4-8-5-10(15(20)21)14(19)11(16)6-8/h5-6,9,16,19H,1-4H2