N-(4-methoxyphenyl)-5,7-dinitro-3-phenyl-quinoxalin-2-amine

Systemtic Name: N-(4-methoxyphenyl)-5,7-dinitro-3-phenyl-quinoxalin-2-amine Openeye Name: N-(4-methoxyphenyl)-5,7-dinitro-3-phenyl-quinoxalin-2-amine CAS Name: N-(4-methoxyphenyl)-5,7-dinitro-3-phenyl-2-quinoxalinamine IUPAC Name: N-(4-methoxyphenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine Traditional Name: (5,7-dinitro-3-phenyl-quinoxalin-2-yl)-(4-methoxyphenyl)amine Formula: C21H15N5O5 MolecularWeight: 417.3743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O5/c1-31-16-9-7-14(8-10-16)22-21-19(13-5-3-2-4-6-13)24-20-17(23-21)11-15(25(27)28)12-18(20)26(29)30/h2-12H,1H3,(H,22,23)