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

Systemtic Name: N-[2-[(3,5-dinitrophenyl)carbonyl-(2-hydroxyethyl)amino]ethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-[(3,5-dinitrobenzoyl)-(2-hydroxyethyl)amino]ethyl]-3,5-dinitro-benzamide CAS Name: N-[2-[[(3,5-dinitrophenyl)-oxomethyl]-(2-hydroxyethyl)amino]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[(3,5-dinitrobenzoyl)-(2-hydroxyethyl)amino]ethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-[(3,5-dinitrobenzoyl)-(2-hydroxyethyl)amino]ethyl]-3,5-dinitro-benzamide Formula: C18H16N6O11 MolecularWeight: 492.35324

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCN(CCO)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCN(CCO)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O11/c25-4-3-20(18(27)12-7-15(23(32)33)10-16(8-12)24(34)35)2-1-19-17(26)11-5-13(21(28)29)9-14(6-11)22(30)31/h5-10,25H,1-4H2,(H,19,26)