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

Systemtic Name: 4-[methoxy(methyl)amino]-3-[(4-nitro-2-phenylmethoxy-phenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-benzyloxy-4-nitro-phenyl)sulfonylamino]-4-[methoxy(methyl)amino]-4-oxo-butanoic acid CAS Name: 4-[methoxy(methyl)amino]-3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-[methoxy(methyl)amino]-3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[(2-benzoxy-4-nitro-phenyl)sulfonylamino]-4-keto-4-[methoxy(methyl)amino]butyric acid Formula: C19H21N3O9S MolecularWeight: 467.44974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O9S/c1-21(30-2)19(25)15(11-18(23)24)20-32(28,29)17-9-8-14(22(26)27)10-16(17)31-12-13-6-4-3-5-7-13/h3-10,15,20H,11-12H2,1-2H3,(H,23,24)