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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]butyramide Formula: C20H17N5O5 MolecularWeight: 407.37948

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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)C4=CC=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=CC=NN4

InChI

InChI=1S/C20H17N5O5/c26-19(22-14-4-1-3-13(11-14)16-8-9-21-23-16)5-2-10-24-17-7-6-15(25(28)29)12-18(17)30-20(24)27/h1,3-4,6-9,11-12H,2,5,10H2,(H,21,23)(H,22,26)