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

Systemtic Name: 3-methyl-N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-4-nitro-benzamide CAS Name: 3-methyl-N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[(3E)-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-4-nitrobenzamide Traditional Name: N-[(3E)-4-keto-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]-3-methyl-4-nitro-benzamide Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C)N2

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C)/N2

InChI

InChI=1S/C22H17N3O5/c1-12-3-8-20-17(9-12)24-22(30-20)16-11-15(5-7-19(16)26)23-21(27)14-4-6-18(25(28)29)13(2)10-14/h3-11,24H,1-2H3,(H,23,27)/b22-16+