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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(1-phenyl-4-pyrazolyl)ethyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butyramide Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H21N5O5/c28-21(23-11-10-16-14-24-26(15-16)17-5-2-1-3-6-17)7-4-12-25-19-9-8-18(27(30)31)13-20(19)32-22(25)29/h1-3,5-6,8-9,13-15H,4,7,10-12H2,(H,23,28)