[(E)-[(4-azanyl-1,2,5-oxadiazol-3-yl)-morpholin-4-yl-methylidene]amino] 4-methylbenzoate

Systemtic Name: [(E)-[(4-azanyl-1,2,5-oxadiazol-3-yl)-morpholin-4-yl-methylidene]amino] 4-methylbenzoate Openeye Name: [(E)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholino-methylene]amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(E)-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-morpholinyl)methylidene]amino] ester IUPAC Name: [(E)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(E)-[(4-aminofurazan-3-yl)-morpholino-methylene]amino] ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ON=C(C2=NON=C2N)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O/N=C(\C2=NON=C2N)/N3CCOCC3

InChI

InChI=1S/C15H17N5O4/c1-10-2-4-11(5-3-10)15(21)23-19-14(12-13(16)18-24-17-12)20-6-8-22-9-7-20/h2-5H,6-9H2,1H3,(H2,16,18)/b19-14+