[3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-nitro-1-prop-2-enyl-cyclohexa-2,5-dien-1-yl] 2-pyridin-3-ylpyridine-3-carboxylate

Systemtic Name: [3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-nitro-1-prop-2-enyl-cyclohexa-2,5-dien-1-yl] 2-pyridin-3-ylpyridine-3-carboxylate Openeye Name: [1-allyl-3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-nitro-cyclohexa-2,5-dien-1-yl] 2-(3-pyridyl)pyridine-3-carboxylate CAS Name: 2-(3-pyridinyl)-3-pyridinecarboxylic acid [3-[4-(1-imidazolylmethyl)phenyl]-2,6-dimethyl-4-nitro-1-prop-2-enyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-nitro-1-prop-2-enylcyclohexa-2,5-dien-1-yl] 2-pyridin-3-ylpyridine-3-carboxylate Traditional Name: 2-(3-pyridyl)nicotinic acid [1-allyl-3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-nitro-cyclohexa-2,5-dien-1-yl] ester Formula: C32H29N5O4 MolecularWeight: 547.60376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(C1(CC=C)OC(=O)C2=C(N=CC=C2)C3=CN=CC=C3)C)C4=CC=C(C=C4)CN5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(C(=C(C1(CC=C)OC(=O)C2=C(N=CC=C2)C3=CN=CC=C3)C)C4=CC=C(C=C4)CN5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H29N5O4/c1-4-13-32(41-31(38)27-8-6-15-35-30(27)26-7-5-14-33-19-26)22(2)18-28(37(39)40)29(23(32)3)25-11-9-24(10-12-25)20-36-17-16-34-21-36/h4-12,14-19,21,28H,1,13,20H2,2-3H3