N-(1-methylpyrazol-3-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(1-methylpyrazol-3-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(1-methylpyrazol-3-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(1-methyl-3-pyrazolyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(1-methylpyrazol-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-(1-methylpyrazol-3-yl)butyramide Formula: C15H15N5O5 MolecularWeight: 345.3101

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CN1C=CC(=N1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C15H15N5O5/c1-18-8-6-13(17-18)16-14(21)3-2-7-19-11-5-4-10(20(23)24)9-12(11)25-15(19)22/h4-6,8-9H,2-3,7H2,1H3,(H,16,17,21)