3-(4-morpholin-4-ylphenyl)-2-(nitromethyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(4-morpholin-4-ylphenyl)-2-(nitromethyl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(4-morpholinophenyl)-2-(nitromethyl)-3-oxo-propanoic acid CAS Name: 3-[4-(4-morpholinyl)phenyl]-2-(nitromethyl)-3-oxopropanoic acid IUPAC Name: 3-(4-morpholin-4-ylphenyl)-2-(nitromethyl)-3-oxopropanoic acid Traditional Name: 3-keto-3-(4-morpholinophenyl)-2-(nitromethyl)propionic acid Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)C(C[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)C(C[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H16N2O6/c17-13(12(14(18)19)9-16(20)21)10-1-3-11(4-2-10)15-5-7-22-8-6-15/h1-4,12H,5-9H2,(H,18,19)