3-[(4-nitro-2-phenylmethoxy-phenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-nitro-2-phenylmethoxy-phenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-benzyloxy-4-nitro-phenyl)sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[(2-benzoxy-4-nitro-phenyl)sulfonylamino]-4-keto-butyric acid Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C17H16N2O8S/c20-10-13(8-17(21)22)18-28(25,26)16-7-6-14(19(23)24)9-15(16)27-11-12-4-2-1-3-5-12/h1-7,9-10,13,18H,8,11H2,(H,21,22)