N2-(3-chlorophenyl)-N3-(2-methoxyphenyl)-6,7-dinitro-quinoxaline-2,3-diamine

Systemtic Name: N2-(3-chlorophenyl)-N3-(2-methoxyphenyl)-6,7-dinitro-quinoxaline-2,3-diamine Openeye Name: N2-(3-chlorophenyl)-N3-(2-methoxyphenyl)-6,7-dinitro-quinoxaline-2,3-diamine CAS Name: N2-(3-chlorophenyl)-N3-(2-methoxyphenyl)-6,7-dinitroquinoxaline-2,3-diamine IUPAC Name: 2-N-(3-chlorophenyl)-3-N-(2-methoxyphenyl)-6,7-dinitroquinoxaline-2,3-diamine Traditional Name: [3-(3-chloroanilino)-6,7-dinitro-quinoxalin-2-yl]-(2-methoxyphenyl)amine Formula: C21H15ClN6O5 MolecularWeight: 466.834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC3=CC(=C(C=C3N=C2NC4=CC(=CC=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=NC3=CC(=C(C=C3N=C2NC4=CC(=CC=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN6O5/c1-33-19-8-3-2-7-14(19)24-21-20(23-13-6-4-5-12(22)9-13)25-15-10-17(27(29)30)18(28(31)32)11-16(15)26-21/h2-11H,1H3,(H,23,25)(H,24,26)