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

Systemtic Name: 4-azanyl-3-[(4-nitro-2-phenylmethoxy-phenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-[(2-benzyloxy-4-nitro-phenyl)sulfonylamino]-4-oxo-butanoic acid CAS Name: 4-amino-3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-amino-3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-amino-3-[(2-benzoxy-4-nitro-phenyl)sulfonylamino]-4-keto-butyric acid Formula: C17H17N3O8S MolecularWeight: 423.39718

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O8S/c18-17(23)13(9-16(21)22)19-29(26,27)15-7-6-12(20(24)25)8-14(15)28-10-11-4-2-1-3-5-11/h1-8,13,19H,9-10H2,(H2,18,23)(H,21,22)