3-methyl-5-[(5-nitro-2-oxidanyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-methyl-5-[(5-nitro-2-oxidanyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-(2-hydroxy-5-nitro-anilino)-3-methyl-5-oxo-pentanoate CAS Name: 5-(2-hydroxy-5-nitroanilino)-3-methyl-5-oxopentanoate IUPAC Name: 5-(2-hydroxy-5-nitroanilino)-3-methyl-5-oxopentanoate Traditional Name: 5-(2-hydroxy-5-nitro-anilino)-5-keto-3-methyl-valerate Formula: C12H13N2O6- MolecularWeight: 281.24142

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)CC(=O)[O-]

Isomeric SMILES

CC(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)CC(=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-7(5-12(17)18)4-11(16)13-9-6-8(14(19)20)2-3-10(9)15/h2-3,6-7,15H,4-5H2,1H3,(H,13,16)(H,17,18)/p-1