(4-aminocarbonyl-2-nitro-phenyl)methoxy-(5-azanylidene-3-methyl-1,2-oxazol-4-ylidene)methanolate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methoxy-(5-azanylidene-3-methyl-1,2-oxazol-4-ylidene)methanolate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methoxy-(5-imino-3-methyl-isoxazol-4-ylidene)methanolate CAS Name: (4-carbamoyl-2-nitrophenyl)methoxy-(5-imino-3-methyl-4-isoxazolylidene)methanolate IUPAC Name: (4-carbamoyl-2-nitrophenyl)methoxy-(5-imino-3-methyl-1,2-oxazol-4-ylidene)methanolate Traditional Name: (4-carbamoyl-2-nitro-benzyl)oxy-(5-imino-3-methyl-2-isoxazolin-4-ylidene)methanolate Formula: C13H11N4O6- MolecularWeight: 319.24964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N)C1=C([O-])OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=N)C1=C([O-])OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O6/c1-6-10(12(15)23-16-6)13(19)22-5-8-3-2-7(11(14)18)4-9(8)17(20)21/h2-4,15,19H,5H2,1H3,(H2,14,18)/p-1