tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,2,4,5-tetracarboxylate

Systemtic Name: tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,2,4,5-tetracarboxylate Openeye Name: tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,2,4,5-tetracarboxylate CAS Name: benzene-1,2,4,5-tetracarboxylic acid tetrakis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: tetrakis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] benzene-1,2,4,5-tetracarboxylate Traditional Name: benzene-1,2,4,5-tetracarboxylic acid tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C34H34N12O16 MolecularWeight: 866.70456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC(=C(C=C2C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C)C(=O)OCCN4C(=NC=C4[N+](=O)[O-])C)C(=O)OCCN5C(=NC=C5[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC(=C(C=C2C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C)C(=O)OCCN4C(=NC=C4[N+](=O)[O-])C)C(=O)OCCN5C(=NC=C5[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C34H34N12O16/c1-19-35-15-27(43(51)52)39(19)5-9-59-31(47)23-13-25(33(49)61-11-7-41-21(3)37-17-29(41)45(55)56)26(34(50)62-12-8-42-22(4)38-18-30(42)46(57)58)14-24(23)32(48)60-10-6-40-20(2)36-16-28(40)44(53)54/h13-18H,5-12H2,1-4H3