4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2S)-2-phenylpropyl]butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2S)-2-phenylpropyl]butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-2-phenylpropyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-2-phenylpropyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-2-phenylpropyl]butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[(2S)-2-phenylpropyl]butyramide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5/c1-14(15-6-3-2-4-7-15)13-21-19(24)8-5-11-22-17-10-9-16(23(26)27)12-18(17)28-20(22)25/h2-4,6-7,9-10,12,14H,5,8,11,13H2,1H3,(H,21,24)/t14-/m1/s1