3-methoxy-2-[(4-nitrophenyl)methyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-methoxy-2-[(4-nitrophenyl)methyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-methoxy-2-[(4-nitrophenyl)methyl]-3-oxo-propanoic acid CAS Name: 3-methoxy-2-[(4-nitrophenyl)methyl]-3-oxopropanoic acid IUPAC Name: 3-methoxy-2-[(4-nitrophenyl)methyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-methoxy-2-(4-nitrobenzyl)propionic acid Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6/c1-18-11(15)9(10(13)14)6-7-2-4-8(5-3-7)12(16)17/h2-5,9H,6H2,1H3,(H,13,14)