4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(1-pyrazolylmethyl)phenyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]butyramide Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CC=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CC=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H19N5O5/c27-20(23-17-6-2-1-5-15(17)14-24-11-4-10-22-24)7-3-12-25-18-9-8-16(26(29)30)13-19(18)31-21(25)28/h1-2,4-6,8-11,13H,3,7,12,14H2,(H,23,27)