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

Systemtic Name: N-[3-[(3,5-dinitrophenyl)carbonylamino]-4-nitro-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[3-[(3,5-dinitrobenzoyl)amino]-4-nitro-phenyl]-3,5-dinitro-benzamide CAS Name: N-[3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-nitrophenyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-[(3,5-dinitrobenzoyl)amino]-4-nitrophenyl]-3,5-dinitrobenzamide Traditional Name: N-[3-[(3,5-dinitrobenzoyl)amino]-4-nitro-phenyl]-3,5-dinitro-benzamide Formula: C20H11N7O12 MolecularWeight: 541.34104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H11N7O12/c28-19(10-3-13(23(30)31)8-14(4-10)24(32)33)21-12-1-2-18(27(38)39)17(7-12)22-20(29)11-5-15(25(34)35)9-16(6-11)26(36)37/h1-9H,(H,21,28)(H,22,29)