(2S)-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanedioate

Systemtic Name: (2S)-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanedioate Openeye Name: (2S)-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanedioate CAS Name: (2S)-2-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]butanedioate IUPAC Name: (2S)-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanedioate Traditional Name: (2S)-2-[(3-phenylanthranil-5-carbonyl)amino]succinate Formula: C18H12N2O6-2 MolecularWeight: 352.29768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H14N2O6/c21-15(22)9-14(18(24)25)19-17(23)11-6-7-13-12(8-11)16(26-20-13)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,23)(H,21,22)(H,24,25)/p-2/t14-/m0/s1