4-bromanyl-N-[4-[[(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 4-bromanyl-N-[4-[[(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-bromo-N-[4-[[(3,5-dinitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide CAS Name: 4-bromo-N-[4-[[(3,5-dinitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-bromo-N-[4-[[(3,5-dinitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-bromo-N-[4-[[(6-keto-3,5-dinitro-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide Formula: C21H14BrN5O7 MolecularWeight: 528.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H14BrN5O7/c22-15-5-1-12(2-6-15)20(29)24-16-7-3-13(4-8-16)21(30)25-23-11-14-9-17(26(31)32)10-18(19(14)28)27(33)34/h1-11,23H,(H,24,29)(H,25,30)