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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-prop-2-ynyl-butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-prop-2-ynyl-butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-prop-2-ynylbutanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-prop-2-ynylbutanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-propargyl-butyramide Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

C#CCNC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C14H13N3O5/c1-2-7-15-13(18)4-3-8-16-11-6-5-10(17(20)21)9-12(11)22-14(16)19/h1,5-6,9H,3-4,7-8H2,(H,15,18)