4-[5-[3-(aminocarbonylamino)but-1-ynyl]furan-2-yl]oxy-N-oxidanyl-benzonitrilium

Systemtic Name: 4-[5-[3-(aminocarbonylamino)but-1-ynyl]furan-2-yl]oxy-N-oxidanyl-benzonitrilium Openeye Name: N-hydroxy-4-[[5-(3-ureidobut-1-ynyl)-2-furyl]oxy]benzonitrilium CAS Name: 4-[[5-[3-(carbamoylamino)but-1-ynyl]-2-furanyl]oxy]-N-hydroxybenzonitrilium IUPAC Name: 4-[5-[3-(carbamoylamino)but-1-ynyl]furan-2-yl]oxy-N-hydroxybenzonitrilium Traditional Name: N-hydroxy-4-[[5-(3-ureidobut-1-ynyl)-2-furyl]oxy]benzonitrilium Formula: C16H14N3O4+ MolecularWeight: 312.30006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=C(O1)OC2=CC=C(C=C2)C#[N+]O)NC(=O)N

Isomeric SMILES

CC(C#CC1=CC=C(O1)OC2=CC=C(C=C2)C#[N+]O)NC(=O)N

InChI

InChI=1S/C16H12N3O4/c1-11(19-16(17)20)2-5-13-8-9-15(22-13)23-14-6-3-12(4-7-14)10-18-21/h3-4,6-9,11H,1H3,(H2-2,17,19,20,21)/q-1/p+2