methyl 3-[[2-[(3-ethoxy-3-oxidanylidene-1-pyridin-3-yl-propyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-[(3-ethoxy-3-oxidanylidene-1-pyridin-3-yl-propyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-[[3-ethoxy-3-oxo-1-(3-pyridyl)propyl]amino]-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-[[3-ethoxy-3-oxo-1-(3-pyridinyl)propyl]amino]-2-oxoethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-ethoxy-3-oxo-1-pyridin-3-ylpropyl)amino]-2-oxoethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-[[3-ethoxy-3-keto-1-(3-pyridyl)propyl]amino]-2-keto-ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H22N4O8 MolecularWeight: 458.42138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H22N4O8/c1-3-33-19(27)10-17(13-5-4-6-22-11-13)24-18(26)12-23-20(28)14-7-15(21(29)32-2)9-16(8-14)25(30)31/h4-9,11,17H,3,10,12H2,1-2H3,(H,23,28)(H,24,26)