2-azanyl-1-(4-bromophenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromophenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromophenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carbonitrile CAS Name: 2-amino-1-(4-bromophenyl)-6,7-dinitro-3-pyrrolo[3,2-b]quinoxalinecarbonitrile IUPAC Name: 2-amino-1-(4-bromophenyl)-6,7-dinitropyrrolo[3,2-b]quinoxaline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromophenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carbonitrile Formula: C17H8BrN7O4 MolecularWeight: 454.19392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C3=NC4=CC(=C(C=C4N=C32)[N+](=O)[O-])[N+](=O)[O-])C#N)N)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C3=NC4=CC(=C(C=C4N=C32)[N+](=O)[O-])[N+](=O)[O-])C#N)N)Br

InChI

InChI=1S/C17H8BrN7O4/c18-8-1-3-9(4-2-8)23-16(20)10(7-19)15-17(23)22-12-6-14(25(28)29)13(24(26)27)5-11(12)21-15/h1-6H,20H2