4-[(E)-3-(4,6-dihydropyren-1-ylamino)-2-methyl-prop-1-enyl]-N-oxidanyl-benzamide

Systemtic Name: 4-[(E)-3-(4,6-dihydropyren-1-ylamino)-2-methyl-prop-1-enyl]-N-oxidanyl-benzamide Openeye Name: 4-[(E)-3-(4,6-dihydropyren-1-ylamino)-2-methyl-prop-1-enyl]benzenecarbohydroxamic acid CAS Name: 4-[(E)-3-(4,6-dihydropyren-1-ylamino)-2-methylprop-1-enyl]-N-hydroxybenzamide IUPAC Name: 4-[(E)-3-(4,6-dihydropyren-1-ylamino)-2-methylprop-1-enyl]-N-hydroxybenzamide Traditional Name: 4-[(E)-3-(4,6-dihydropyren-1-ylamino)-2-methyl-prop-1-enyl]benzenecarbohydroxamic acid Formula: C27H24N2O2 MolecularWeight: 408.49166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)NO)CNC2=C3C=CC4=C5C3=C(CC=C5CC=C4)C=C2

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C(=O)NO)/CNC2=C3C=CC4=C5C3=C(CC=C5CC=C4)C=C2

InChI

InChI=1S/C27H24N2O2/c1-17(15-18-5-7-22(8-6-18)27(30)29-31)16-28-24-14-12-21-10-9-19-3-2-4-20-11-13-23(24)26(21)25(19)20/h2,4-9,11-15,28,31H,3,10,16H2,1H3,(H,29,30)/b17-15+