3-(1,3-benzodioxol-5-yl)-3-[(3-nitrophenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[(3-nitrophenyl)carbonylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[(3-nitrobenzoyl)amino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(3-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[(3-nitrobenzoyl)amino]propionic acid Formula: C17H14N2O7 MolecularWeight: 358.30226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O7/c20-16(21)8-13(10-4-5-14-15(7-10)26-9-25-14)18-17(22)11-2-1-3-12(6-11)19(23)24/h1-7,13H,8-9H2,(H,18,22)(H,20,21)