N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]butyramide Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H21N5O5/c1-14-5-7-16(8-6-14)26-20(12-15(2)24-26)23-21(28)4-3-11-25-18-10-9-17(27(30)31)13-19(18)32-22(25)29/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,28)