N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-nitro-benzamide

Systemtic Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-nitro-benzamide Openeye Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-nitro-benzamide CAS Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-nitrobenzamide IUPAC Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-nitrobenzamide Traditional Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-nitro-benzamide Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N/C(=C\3/C=C(C=CC3=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])/O2)C

InChI

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