2-[(2-ethoxy-2-oxidanylidene-ethyl)-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(2-ethoxy-2-oxidanylidene-ethyl)-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[(2-ethoxy-2-oxo-ethyl)-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[(2-ethoxy-2-oxoethyl)-(4-nitrophenyl)sulfonylamino]-4-methylpentanoic acid IUPAC Name: 2-[(2-ethoxy-2-oxoethyl)-(4-nitrophenyl)sulfonylamino]-4-methylpentanoic acid Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)-nosyl-amino]-4-methyl-valeric acid Formula: C16H22N2O8S MolecularWeight: 402.41948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(CC(C)C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(C(CC(C)C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O8S/c1-4-26-15(19)10-17(14(16(20)21)9-11(2)3)27(24,25)13-7-5-12(6-8-13)18(22)23/h5-8,11,14H,4,9-10H2,1-3H3,(H,20,21)