N,N-bis[2-[[4-(2,4-dinitrophenoxy)phenyl]methyl-ethanoyl-amino]ethyl]ethanamide

Systemtic Name: N,N-bis[2-[[4-(2,4-dinitrophenoxy)phenyl]methyl-ethanoyl-amino]ethyl]ethanamide Openeye Name: N,N-bis[2-[acetyl-[[4-(2,4-dinitrophenoxy)phenyl]methyl]amino]ethyl]acetamide CAS Name: N,N-bis[2-[acetyl-[[4-(2,4-dinitrophenoxy)phenyl]methyl]amino]ethyl]acetamide IUPAC Name: N,N-bis[2-[acetyl-[[4-(2,4-dinitrophenoxy)phenyl]methyl]amino]ethyl]acetamide Traditional Name: N,N-bis[2-[acetyl-[4-(2,4-dinitrophenoxy)benzyl]amino]ethyl]acetamide Formula: C36H35N7O13 MolecularWeight: 773.7022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCN(CC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C)CCN(CC3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)N(CCN(CC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C)CCN(CC3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C36H35N7O13/c1-24(44)37(16-18-38(25(2)45)22-27-4-10-31(11-5-27)55-35-14-8-29(40(47)48)20-33(35)42(51)52)17-19-39(26(3)46)23-28-6-12-32(13-7-28)56-36-15-9-30(41(49)50)21-34(36)43(53)54/h4-15,20-21H,16-19,22-23H2,1-3H3