N-[2-[(3,5-dinitrophenyl)carbonyl-phenyl-amino]ethyl]-3,5-dinitro-N-phenyl-benzamide

Systemtic Name: N-[2-[(3,5-dinitrophenyl)carbonyl-phenyl-amino]ethyl]-3,5-dinitro-N-phenyl-benzamide Openeye Name: N-[2-(N-(3,5-dinitrobenzoyl)anilino)ethyl]-3,5-dinitro-N-phenyl-benzamide CAS Name: N-[2-(N-[(3,5-dinitrophenyl)-oxomethyl]anilino)ethyl]-3,5-dinitro-N-phenylbenzamide IUPAC Name: N-[2-(N-(3,5-dinitrobenzoyl)anilino)ethyl]-3,5-dinitro-N-phenylbenzamide Traditional Name: N-[2-(N-(3,5-dinitrobenzoyl)anilino)ethyl]-3,5-dinitro-N-phenyl-benzamide Formula: C28H20N6O10 MolecularWeight: 600.4926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20N6O10/c35-27(19-13-23(31(37)38)17-24(14-19)32(39)40)29(21-7-3-1-4-8-21)11-12-30(22-9-5-2-6-10-22)28(36)20-15-25(33(41)42)18-26(16-20)34(43)44/h1-10,13-18H,11-12H2