2-acetamido-2-[(4-bromanyl-2-nitro-phenyl)methyl]-3-ethoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-acetamido-2-[(4-bromanyl-2-nitro-phenyl)methyl]-3-ethoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-acetamido-2-[(4-bromo-2-nitro-phenyl)methyl]-3-ethoxy-3-oxo-propanoic acid CAS Name: 2-acetamido-2-[(4-bromo-2-nitrophenyl)methyl]-3-ethoxy-3-oxopropanoic acid IUPAC Name: 2-acetamido-2-[(4-bromo-2-nitrophenyl)methyl]-3-ethoxy-3-oxopropanoic acid Traditional Name: 2-acetamido-2-(4-bromo-2-nitro-benzyl)-3-ethoxy-3-keto-propionic acid Formula: C14H15BrN2O7 MolecularWeight: 403.1821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=C(C=C1)Br)[N+](=O)[O-])(C(=O)O)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=C(C=C1)Br)[N+](=O)[O-])(C(=O)O)NC(=O)C

InChI

InChI=1S/C14H15BrN2O7/c1-3-24-13(21)14(12(19)20,16-8(2)18)7-9-4-5-10(15)6-11(9)17(22)23/h4-6H,3,7H2,1-2H3,(H,16,18)(H,19,20)