ethyl 3-nitro-5-[(6-pyrrolidin-1-ylpyridin-3-yl)carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(6-pyrrolidin-1-ylpyridin-3-yl)carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[(6-pyrrolidin-1-yl-3-pyridyl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[6-(1-pyrrolidinyl)-3-pyridinyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(6-pyrrolidin-1-ylpyridin-3-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(6-pyrrolidino-3-pyridyl)carbamoyl]benzoic acid ethyl ester Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5/c1-2-28-19(25)14-9-13(10-16(11-14)23(26)27)18(24)21-15-5-6-17(20-12-15)22-7-3-4-8-22/h5-6,9-12H,2-4,7-8H2,1H3,(H,21,24)