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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butyramide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1(CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5/c25-19(22-14-21(10-11-21)15-5-2-1-3-6-15)7-4-12-23-17-9-8-16(24(27)28)13-18(17)29-20(23)26/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,22,25)