pentan-2-yl (1E)-N-aminocarbonyl-2-nitro-benzenecarboximidate

Systemtic Name: pentan-2-yl (1E)-N-aminocarbonyl-2-nitro-benzenecarboximidate Openeye Name: 1-methylbutyl (1E)-N-carbamoyl-2-nitro-benzenecarboximidate CAS Name: (1E)-N-carbamoyl-2-nitrobenzenecarboximidic acid pentan-2-yl ester IUPAC Name: pentan-2-yl (1E)-N-carbamoyl-2-nitrobenzenecarboximidate Traditional Name: (1E)-N-carbamoyl-2-nitro-benzenecarboximidic acid 1-methylbutyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=NC(=O)N)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCC(C)O/C(=N/C(=O)N)/C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-3-6-9(2)20-12(15-13(14)17)10-7-4-5-8-11(10)16(18)19/h4-5,7-9H,3,6H2,1-2H3,(H2,14,17)/b15-12+