[[C-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-phenyl-carbonimidoyl]amino] 4-methylbenzoate

Systemtic Name: [[C-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-phenyl-carbonimidoyl]amino] 4-methylbenzoate Openeye Name: [[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-phenyl-carbonimidoyl]amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [[(4-amino-1,2,5-oxadiazol-3-yl)-phenyliminomethyl]amino] ester IUPAC Name: [[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-phenylcarbonimidoyl]amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [[C-(4-aminofurazan-3-yl)-N-phenyl-carbonimidoyl]amino] ester Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ONC(=NC2=CC=CC=C2)C3=NON=C3N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ONC(=NC2=CC=CC=C2)C3=NON=C3N

InChI

InChI=1S/C17H15N5O3/c1-11-7-9-12(10-8-11)17(23)24-22-16(14-15(18)21-25-20-14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,21)(H,19,22)