3-(1,3-benzodioxol-5-yl)-3-[2-(4-nitrophenyl)ethanoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(4-nitrophenyl)ethanoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-(4-nitrophenyl)acetyl]amino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-(4-nitrophenyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-(4-nitrophenyl)acetyl]amino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-(4-nitrophenyl)acetyl]amino]propionic acid Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7/c21-17(7-11-1-4-13(5-2-11)20(24)25)19-14(9-18(22)23)12-3-6-15-16(8-12)27-10-26-15/h1-6,8,14H,7,9-10H2,(H,19,21)(H,22,23)