N-[[(3Z)-3-[azanyl-(oxidanylamino)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[[(3Z)-3-[azanyl-(oxidanylamino)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[[(3Z)-3-[amino-(hydroxyamino)methylene]-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[[(3Z)-3-[amino-(hydroxyamino)methylidene]-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-3-methyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[[(3Z)-3-[amino-(hydroxyamino)methylidene]-6-oxocyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[[(3Z)-3-[amino-(hydroxyamino)methylene]-6-keto-cyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=CC(=C(N)NO)C=CC2=O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=C/C(=C(/N)\NO)/C=CC2=O)C(=O)N3CCCC3

InChI

InChI=1S/C21H24N4O4/c1-13-10-15(4-6-17(13)21(28)25-8-2-3-9-25)20(27)23-12-16-11-14(19(22)24-29)5-7-18(16)26/h4-7,10-11,24,29H,2-3,8-9,12,22H2,1H3,(H,23,27)/b19-14-