4-iodanyl-N-[4-[[(E)-(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]benzamide

Systemtic Name: 4-iodanyl-N-[4-[[(E)-(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]benzamide Openeye Name: 4-iodo-N-[4-[[(E)-(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]benzamide CAS Name: 4-iodo-N-[4-[[(E)-(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]phenyl]benzamide IUPAC Name: 4-iodo-N-[4-[[(E)-(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]benzamide Traditional Name: 4-iodo-N-[4-[[(E)-(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]benzamide Formula: C21H16IN3O5 MolecularWeight: 517.27331

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)I)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C/C(=C\NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)I)/C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H16IN3O5/c1-30-19-11-18(25(28)29)10-14(20(19)26)12-23-16-6-8-17(9-7-16)24-21(27)13-2-4-15(22)5-3-13/h2-12,23H,1H3,(H,24,27)/b14-12+