2-[1-azanyl-3-(4-oxidanylidene-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[1-azanyl-3-(4-oxidanylidene-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propylidene]cyclohexane-1,3-dione Openeye Name: 2-[1-amino-3-(4-oxo-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propylidene]cyclohexane-1,3-dione CAS Name: 2-[1-amino-3-(4-oxo-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propylidene]cyclohexane-1,3-dione IUPAC Name: 2-[1-amino-3-(4-oxo-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propylidene]cyclohexane-1,3-dione Traditional Name: 2-[1-amino-3-(4-keto-6-phenyl-6,7-dihydro-5H-indoxazen-3-yl)propylidene]cyclohexane-1,3-quinone Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(CCC2=NOC3=C2C(=O)CC(C3)C4=CC=CC=C4)N)C(=O)C1

Isomeric SMILES

C1CC(=O)C(=C(CCC2=NOC3=C2C(=O)CC(C3)C4=CC=CC=C4)N)C(=O)C1

InChI

InChI=1S/C22H22N2O4/c23-15(21-17(25)7-4-8-18(21)26)9-10-16-22-19(27)11-14(12-20(22)28-24-16)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,23H2