2,4-dinitro-N-phenyl-aniline; N-(4-methoxyphenyl)-2,4-dinitro-aniline

Systemtic Name: 2,4-dinitro-N-phenyl-aniline; N-(4-methoxyphenyl)-2,4-dinitro-aniline Openeye Name: 2,4-dinitro-N-phenyl-aniline; N-(4-methoxyphenyl)-2,4-dinitro-aniline CAS Name: 2,4-dinitro-N-phenylaniline; N-(4-methoxyphenyl)-2,4-dinitroaniline IUPAC Name: 2,4-dinitro-N-phenylaniline; N-(4-methoxyphenyl)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(4-methoxyphenyl)amine; (2,4-dinitrophenyl)-phenyl-amine Formula: C25H20N6O9 MolecularWeight: 548.4611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5.C12H9N3O4/c1-21-11-5-2-9(3-6-11)14-12-7-4-10(15(17)18)8-13(12)16(19)20;16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h2-8,14H,1H3;1-8,13H