methyl-[nitramido-[oxolan-3-ylmethyl(phenylcarbonyl)amino]methylidene]-(phenylcarbonyl)azanium

Systemtic Name: methyl-[nitramido-[oxolan-3-ylmethyl(phenylcarbonyl)amino]methylidene]-(phenylcarbonyl)azanium Openeye Name: benzoyl-[[benzoyl(tetrahydrofuran-3-ylmethyl)amino]-nitramido-methylene]-methyl-ammonium CAS Name: benzoyl-[[benzoyl(3-oxolanylmethyl)amino]-nitramidomethylidene]-methylammonium IUPAC Name: benzoyl-[[benzoyl(oxolan-3-ylmethyl)amino]-nitramidomethylidene]-methylazanium Traditional Name: benzoyl-[[benzoyl(tetrahydrofuran-3-ylmethyl)amino]-nitramido-methylene]-methyl-ammonium Formula: C21H23N4O5+ MolecularWeight: 411.43112

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C(N[N+](=O)[O-])N(CC1CCOC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+](=C(N[N+](=O)[O-])N(CC1CCOC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5/c1-23(19(26)17-8-4-2-5-9-17)21(22-25(28)29)24(14-16-12-13-30-15-16)20(27)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/p+1