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

Systemtic Name: 2-azanyl-1-(2-methylphenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carbonitrile Openeye Name: 2-amino-6,7-dinitro-1-(o-tolyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile CAS Name: 2-amino-1-(2-methylphenyl)-6,7-dinitro-3-pyrrolo[3,2-b]quinoxalinecarbonitrile IUPAC Name: 2-amino-1-(2-methylphenyl)-6,7-dinitropyrrolo[3,2-b]quinoxaline-3-carbonitrile Traditional Name: 2-amino-6,7-dinitro-1-(o-tolyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile Formula: C18H11N7O4 MolecularWeight: 389.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C3=NC4=CC(=C(C=C4N=C32)[N+](=O)[O-])[N+](=O)[O-])C#N)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C3=NC4=CC(=C(C=C4N=C32)[N+](=O)[O-])[N+](=O)[O-])C#N)N

InChI

InChI=1S/C18H11N7O4/c1-9-4-2-3-5-13(9)23-17(20)10(8-19)16-18(23)22-12-7-15(25(28)29)14(24(26)27)6-11(12)21-16/h2-7H,20H2,1H3