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

Systemtic Name: 4-(methylamino)-3-[(4-nitro-2-phenylmethoxy-phenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-benzyloxy-4-nitro-phenyl)sulfonylamino]-4-(methylamino)-4-oxo-butanoic acid CAS Name: 4-(methylamino)-3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-(methylamino)-3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[(2-benzoxy-4-nitro-phenyl)sulfonylamino]-4-keto-4-(methylamino)butyric acid Formula: C18H19N3O8S MolecularWeight: 437.42376

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CNC(=O)C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O8S/c1-19-18(24)14(10-17(22)23)20-30(27,28)16-8-7-13(21(25)26)9-15(16)29-11-12-5-3-2-4-6-12/h2-9,14,20H,10-11H2,1H3,(H,19,24)(H,22,23)