4-[methyl-(5-nitro-2-phenylmethoxy-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[methyl-(5-nitro-2-phenylmethoxy-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-benzyloxy-N-methyl-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(N-methyl-5-nitro-2-phenylmethoxyanilino)-4-oxobutanoic acid IUPAC Name: 4-(N-methyl-5-nitro-2-phenylmethoxyanilino)-4-oxobutanoic acid Traditional Name: 4-(2-benzoxy-N-methyl-5-nitro-anilino)-4-keto-butyric acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)C(=O)CCC(=O)O

Isomeric SMILES

CN(C1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C18H18N2O6/c1-19(17(21)9-10-18(22)23)15-11-14(20(24)25)7-8-16(15)26-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,22,23)