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

Systemtic Name: N-[4-[(3,5-dinitrophenyl)carbonylamino]-5-methoxy-2-methyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[(3,5-dinitrobenzoyl)amino]-5-methoxy-2-methyl-phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]-5-methoxy-2-methylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[(3,5-dinitrobenzoyl)amino]-5-methoxy-2-methylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[(3,5-dinitrobenzoyl)amino]-5-methoxy-2-methyl-phenyl]-3,5-dinitro-benzamide Formula: C22H16N6O11 MolecularWeight: 540.39604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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