dimethyl 1-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-nitrophenyl)-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-nitrophenyl)-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(2-methoxy-2-oxo-ethyl)-4-(3-nitrophenyl)-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(2-methoxy-2-oxoethyl)-4-(3-nitrophenyl)-2,6-bis(1-pyridin-1-iumylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(2-methoxy-2-oxoethyl)-4-(3-nitrophenyl)-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(2-keto-2-methoxy-ethyl)-4-(3-nitrophenyl)-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C30H30N4O8+2 MolecularWeight: 574.5812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=C(C(C(=C1C[N+]2=CC=CC=C2)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C[N+]4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C(=C(C(C(=C1C[N+]2=CC=CC=C2)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C[N+]4=CC=CC=C4

InChI

InChI=1S/C30H30N4O8/c1-40-25(35)20-33-23(18-31-13-6-4-7-14-31)27(29(36)41-2)26(21-11-10-12-22(17-21)34(38)39)28(30(37)42-3)24(33)19-32-15-8-5-9-16-32/h4-17,26H,18-20H2,1-3H3/q+2