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

Systemtic Name: N-[4-[(2,4-dinitrophenyl)carbonylamino]-5-methoxy-2-methyl-phenyl]-2,4-dinitro-benzamide Openeye Name: N-[4-[(2,4-dinitrobenzoyl)amino]-5-methoxy-2-methyl-phenyl]-2,4-dinitro-benzamide CAS Name: N-[4-[[(2,4-dinitrophenyl)-oxomethyl]amino]-5-methoxy-2-methylphenyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-[(2,4-dinitrobenzoyl)amino]-5-methoxy-2-methylphenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-[(2,4-dinitrobenzoyl)amino]-5-methoxy-2-methyl-phenyl]-2,4-dinitro-benzamide Formula: C22H16N6O11 MolecularWeight: 540.39604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O11/c1-11-7-17(24-22(30)15-6-4-13(26(33)34)9-19(15)28(37)38)20(39-2)10-16(11)23-21(29)14-5-3-12(25(31)32)8-18(14)27(35)36/h3-10H,1-2H3,(H,23,29)(H,24,30)