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

Systemtic Name: [[C-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-(phenylmethyl)carbonimidoyl]amino] 4-methylbenzoate Openeye Name: [[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-benzyl-carbonimidoyl]amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [[(4-amino-1,2,5-oxadiazol-3-yl)-(phenylmethyl)iminomethyl]amino] ester IUPAC Name: [[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-benzylcarbonimidoyl]amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [[C-(4-aminofurazan-3-yl)-N-benzyl-carbonimidoyl]amino] ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ONC(=NCC2=CC=CC=C2)C3=NON=C3N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ONC(=NCC2=CC=CC=C2)C3=NON=C3N

InChI

InChI=1S/C18H17N5O3/c1-12-7-9-14(10-8-12)18(24)25-23-17(15-16(19)22-26-21-15)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,22)(H,20,23)