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

Systemtic Name: 2-chloranyl-N-[(3E)-5-methyl-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide Formula: C24H20ClN3O5 MolecularWeight: 465.8857

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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)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O5/c1-12(2)14-4-7-21-20(9-14)27-24(33-21)18-10-15(8-13(3)22(18)29)26-23(30)17-11-16(28(31)32)5-6-19(17)25/h4-12,27H,1-3H3,(H,26,30)/b24-18+