N-[4-[4-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-phenyl]-2-methyl-phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[4-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-phenyl]-2-methyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[4-[(3,5-dinitrobenzoyl)amino]-3-methyl-phenyl]-2-methyl-phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-methylphenyl]-2-methylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[4-[(3,5-dinitrobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[4-[(3,5-dinitrobenzoyl)amino]-3-methyl-phenyl]-2-methyl-phenyl]-3,5-dinitro-benzamide Formula: C28H20N6O10 MolecularWeight: 600.4926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H20N6O10/c1-15-7-17(3-5-25(15)29-27(35)19-9-21(31(37)38)13-22(10-19)32(39)40)18-4-6-26(16(2)8-18)30-28(36)20-11-23(33(41)42)14-24(12-20)34(43)44/h3-14H,1-2H3,(H,29,35)(H,30,36)