N-[4-[[3-[(4-bromophenyl)amino]-6,7-dinitro-quinoxalin-2-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[3-[(4-bromophenyl)amino]-6,7-dinitro-quinoxalin-2-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[3-(4-bromoanilino)-6,7-dinitro-quinoxalin-2-yl]amino]phenyl]acetamide CAS Name: N-[4-[[3-(4-bromoanilino)-6,7-dinitro-2-quinoxalinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[3-(4-bromoanilino)-6,7-dinitroquinoxalin-2-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[3-(4-bromoanilino)-6,7-dinitro-quinoxalin-2-yl]amino]phenyl]acetamide Formula: C22H16BrN7O5 MolecularWeight: 538.31034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC3=CC(=C(C=C3N=C2NC4=CC=C(C=C4)Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC3=CC(=C(C=C3N=C2NC4=CC=C(C=C4)Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN7O5/c1-12(31)24-14-6-8-16(9-7-14)26-22-21(25-15-4-2-13(23)3-5-15)27-17-10-19(29(32)33)20(30(34)35)11-18(17)28-22/h2-11H,1H3,(H,24,31)(H,25,27)(H,26,28)