N-[3-[(2,4-dinitrophenyl)carbonylamino]-4-phenyldiazenyl-phenyl]-2,4-dinitro-benzamide

Systemtic Name: N-[3-[(2,4-dinitrophenyl)carbonylamino]-4-phenyldiazenyl-phenyl]-2,4-dinitro-benzamide Openeye Name: N-[3-[(2,4-dinitrobenzoyl)amino]-4-phenylazo-phenyl]-2,4-dinitro-benzamide CAS Name: N-[3-[[(2,4-dinitrophenyl)-oxomethyl]amino]-4-phenyldiazenylphenyl]-2,4-dinitrobenzamide IUPAC Name: N-[3-[(2,4-dinitrobenzoyl)amino]-4-phenyldiazenylphenyl]-2,4-dinitrobenzamide Traditional Name: N-[3-[(2,4-dinitrobenzoyl)amino]-4-phenylazo-phenyl]-2,4-dinitro-benzamide Formula: C26H16N8O10 MolecularWeight: 600.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H16N8O10/c35-25(19-9-7-17(31(37)38)13-23(19)33(41)42)27-16-6-11-21(30-29-15-4-2-1-3-5-15)22(12-16)28-26(36)20-10-8-18(32(39)40)14-24(20)34(43)44/h1-14H,(H,27,35)(H,28,36)