2-formamido-2-methyl-3-(4-nitro-3-oxidanyl-phenyl)propanoic acid; methoxymethane

Systemtic Name: 2-formamido-2-methyl-3-(4-nitro-3-oxidanyl-phenyl)propanoic acid; methoxymethane Openeye Name: 2-formamido-3-(3-hydroxy-4-nitro-phenyl)-2-methyl-propanoic acid; methoxymethane CAS Name: 2-formamido-3-(3-hydroxy-4-nitrophenyl)-2-methylpropanoic acid; methoxymethane IUPAC Name: 2-formamido-3-(3-hydroxy-4-nitrophenyl)-2-methylpropanoic acid; methoxymethane Traditional Name: 2-formamido-3-(3-hydroxy-4-nitro-phenyl)-2-methyl-propionic acid; methoxymethane Formula: C13H18N2O7 MolecularWeight: 314.29122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)[N+](=O)[O-])O)(C(=O)O)NC=O.COC

Isomeric SMILES

CC(CC1=CC(=C(C=C1)[N+](=O)[O-])O)(C(=O)O)NC=O.COC

InChI

InChI=1S/C11H12N2O6.C2H6O/c1-11(10(16)17,12-6-14)5-7-2-3-8(13(18)19)9(15)4-7;1-3-2/h2-4,6,15H,5H2,1H3,(H,12,14)(H,16,17);1-2H3