4-bromanyl-N-[4-[[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 4-bromanyl-N-[4-[[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-bromo-N-[4-[[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide CAS Name: 4-bromo-N-[4-[[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-bromo-N-[4-[[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-bromo-N-[4-[[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide Formula: C21H15BrN4O5 MolecularWeight: 483.2716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC=C2C=C(C=CC2=O)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC=C2C=C(C=CC2=O)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H15BrN4O5/c22-16-5-1-13(2-6-16)20(28)24-17-7-3-14(4-8-17)21(29)25-23-12-15-11-18(26(30)31)9-10-19(15)27/h1-12,23H,(H,24,28)(H,25,29)