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

Systemtic Name: N-[4-[4-[(2,4-dinitrophenyl)carbonylamino]-3-methyl-phenyl]-2-methyl-phenyl]-2,4-dinitro-benzamide Openeye Name: N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methyl-phenyl]-2-methyl-phenyl]-2,4-dinitro-benzamide CAS Name: N-[4-[4-[[(2,4-dinitrophenyl)-oxomethyl]amino]-3-methylphenyl]-2-methylphenyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methyl-phenyl]-2-methyl-phenyl]-2,4-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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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