(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-pentyl-azanium

Systemtic Name: (6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-pentyl-azanium Openeye Name: (6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-pentyl-ammonium CAS Name: (6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-pentylammonium IUPAC Name: (6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-pentylazanium Traditional Name: amyl-[(2-keto-6-nitro-1,3-benzoxazol-3-yl)methyl]ammonium Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCCC[NH2+]CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C13H17N3O4/c1-2-3-4-7-14-9-15-11-6-5-10(16(18)19)8-12(11)20-13(15)17/h5-6,8,14H,2-4,7,9H2,1H3/p+1