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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)CN4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)CN4C=CC=N4

InChI

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