(3S)-3-(1H-indol-3-yl)-3-[(4-nitrophenoxy)carbonylamino]propanoic acid

Systemtic Name: (3S)-3-(1H-indol-3-yl)-3-[(4-nitrophenoxy)carbonylamino]propanoic acid Openeye Name: (3S)-3-(1H-indol-3-yl)-3-[(4-nitrophenoxy)carbonylamino]propanoic acid CAS Name: (3S)-3-(1H-indol-3-yl)-3-[[(4-nitrophenoxy)-oxomethyl]amino]propanoic acid IUPAC Name: (3S)-3-(1H-indol-3-yl)-3-[(4-nitrophenoxy)carbonylamino]propanoic acid Traditional Name: (3S)-3-(1H-indol-3-yl)-3-[(4-nitrophenoxy)carbonylamino]propionic acid Formula: C18H15N3O6 MolecularWeight: 369.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(CC(=O)O)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)[C@H](CC(=O)O)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6/c22-17(23)9-16(14-10-19-15-4-2-1-3-13(14)15)20-18(24)27-12-7-5-11(6-8-12)21(25)26/h1-8,10,16,19H,9H2,(H,20,24)(H,22,23)/t16-/m0/s1