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

Systemtic Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-4-methyl-3,5-dinitro-benzamide Formula: C23H18N4O7 MolecularWeight: 462.41162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O7/c1-11-6-12(2)21-17(7-11)25-23(34-21)16-10-15(4-5-20(16)28)24-22(29)14-8-18(26(30)31)13(3)19(9-14)27(32)33/h4-10,25H,1-3H3,(H,24,29)/b23-16+