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

Systemtic Name: N-[2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[2-[(3,5-dinitrobenzoyl)amino]-4-methyl-phenyl]-3,5-dinitro-benzamide CAS Name: N-[2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[(3,5-dinitrobenzoyl)amino]-4-methylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[2-[(3,5-dinitrobenzoyl)amino]-4-methyl-phenyl]-3,5-dinitro-benzamide Formula: C21H14N6O10 MolecularWeight: 510.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N6O10/c1-11-2-3-18(22-20(28)12-5-14(24(30)31)9-15(6-12)25(32)33)19(4-11)23-21(29)13-7-16(26(34)35)10-17(8-13)27(36)37/h2-10H,1H3,(H,22,28)(H,23,29)