ethyl 3-[[6-(2-methylimidazol-1-yl)pyridin-3-yl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[6-(2-methylimidazol-1-yl)pyridin-3-yl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[6-(2-methylimidazol-1-yl)-3-pyridyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[6-(2-methyl-1-imidazolyl)-3-pyridinyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2-methylimidazol-1-yl)pyridin-3-yl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[6-(2-methylimidazol-1-yl)-3-pyridyl]methylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN=C(C=C2)N3C=CN=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN=C(C=C2)N3C=CN=C3C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-3-30-20(27)16-8-15(9-17(10-16)25(28)29)19(26)23-12-14-4-5-18(22-11-14)24-7-6-21-13(24)2/h4-11H,3,12H2,1-2H3,(H,23,26)