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

Systemtic Name: N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-nitro-benzamide Openeye Name: N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-3-nitro-benzamide CAS Name: N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-3-nitrobenzamide IUPAC Name: N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-3-nitrobenzamide Traditional Name: N-[(4E)-3-keto-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]-3-nitro-benzamide Formula: C21H15N3O5 MolecularWeight: 389.3609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O5/c1-12-5-8-19-17(9-12)23-21(29-19)16-7-6-14(11-18(16)25)22-20(26)13-3-2-4-15(10-13)24(27)28/h2-11,23H,1H3,(H,22,26)/b21-16+