4-[4-[(4-bromophenyl)amino]-3,5-dinitro-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[4-[(4-bromophenyl)amino]-3,5-dinitro-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[4-(4-bromoanilino)-3,5-dinitro-benzoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[4-(4-bromoanilino)-3,5-dinitrophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[4-(4-bromoanilino)-3,5-dinitrobenzoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[4-(4-bromoanilino)-3,5-dinitro-benzoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H14BrN5O6 MolecularWeight: 512.26976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN5O6/c22-13-5-7-14(8-6-13)23-20-17(26(30)31)9-12(10-18(20)27(32)33)21(29)25-11-19(28)24-15-3-1-2-4-16(15)25/h1-10,23H,11H2,(H,24,28)