N-[(3E)-5-methyl-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[(3E)-5-methyl-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-2-(4-nitrophenyl)acetamide CAS Name: N-[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-2-(4-nitrophenyl)acetamide Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=C(O2)C=CC(=C3)C(C)C)C1=O)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=C(O2)C=CC(=C3)C(C)C)/C1=O)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O5/c1-14(2)17-6-9-22-21(12-17)27-25(33-22)20-13-18(10-15(3)24(20)30)26-23(29)11-16-4-7-19(8-5-16)28(31)32/h4-10,12-14,27H,11H2,1-3H3,(H,26,29)/b25-20+