(3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-nitrophenyl)carbonylamino]propanoic acid

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-nitrophenyl)carbonylamino]propanoic acid Openeye Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-nitrobenzoyl)amino]propanoic acid CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-nitrobenzoyl)amino]propanoic acid Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O7/c20-16(21)8-13(11-3-6-14-15(7-11)26-9-25-14)18-17(22)10-1-4-12(5-2-10)19(23)24/h1-7,13H,8-9H2,(H,18,22)(H,20,21)/t13-/m1/s1