ethyl 2-benzamido-3-(3-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: ethyl 2-benzamido-3-(3-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: ethyl 2-benzamido-3-(4-hydroxy-3-nitro-phenyl)propanoate CAS Name: 2-benzamido-3-(4-hydroxy-3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-benzamido-3-(4-hydroxy-3-nitrophenyl)propanoate Traditional Name: 2-benzamido-3-(4-hydroxy-3-nitro-phenyl)propionic acid ethyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6/c1-2-26-18(23)14(19-17(22)13-6-4-3-5-7-13)10-12-8-9-16(21)15(11-12)20(24)25/h3-9,11,14,21H,2,10H2,1H3,(H,19,22)