N,N-dimethyl-2-[4-[(E)-2-nitro-1,2-diphenyl-ethenyl]phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N,N-dimethyl-2-[4-[(E)-2-nitro-1,2-diphenyl-ethenyl]phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N,N-dimethyl-2-[4-[(E)-2-nitro-1,2-diphenyl-vinyl]phenoxy]ethanamine citrate CAS Name: N,N-dimethyl-2-[4-[(E)-2-nitro-1,2-diphenylethenyl]phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: N,N-dimethyl-2-[4-[(E)-2-nitro-1,2-diphenylethenyl]phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: dimethyl-[2-[4-[(E)-2-nitro-1,2-diphenyl-vinyl]phenoxy]ethyl]amine citrate Formula: C30H29N2O10-3 MolecularWeight: 577.55866

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/[N+](=O)[O-])/C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C24H24N2O3.C6H8O7/c1-25(2)17-18-29-22-15-13-20(14-16-22)23(19-9-5-3-6-10-19)24(26(27)28)21-11-7-4-8-12-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b24-23+;