N-[(E)-furan-2-ylmethylideneamino]-3-oxidanyl-butanamide hydrate

Systemtic Name: N-[(E)-furan-2-ylmethylideneamino]-3-oxidanyl-butanamide hydrate Openeye Name: N-[(E)-2-furylmethyleneamino]-3-hydroxy-butanamide hydrate CAS Name: N-[(E)-2-furanylmethylideneamino]-3-hydroxybutanamide hydrate IUPAC Name: N-[(E)-furan-2-ylmethylideneamino]-3-hydroxybutanamide hydrate Traditional Name: N-[(E)-2-furfurylideneamino]-3-hydroxy-butyramide hydrate Formula: C9H14N2O4 MolecularWeight: 214.21846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NN=CC1=CC=CO1)O.O

Isomeric SMILES

CC(CC(=O)N/N=C/C1=CC=CO1)O.O

InChI

InChI=1S/C9H12N2O3.H2O/c1-7(12)5-9(13)11-10-6-8-3-2-4-14-8;/h2-4,6-7,12H,5H2,1H3,(H,11,13);1H2/b10-6+;