2-[phenyl(pyridin-4-ylcarbonyl)amino]ethyl 2-nitrobenzoate

Systemtic Name: 2-[phenyl(pyridin-4-ylcarbonyl)amino]ethyl 2-nitrobenzoate Openeye Name: 2-[N-(pyridine-4-carbonyl)anilino]ethyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 2-(N-[oxo(pyridin-4-yl)methyl]anilino)ethyl ester IUPAC Name: 2-[N-(pyridine-4-carbonyl)anilino]ethyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 2-(N-isonicotinoylanilino)ethyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H17N3O5/c25-20(16-10-12-22-13-11-16)23(17-6-2-1-3-7-17)14-15-29-21(26)18-8-4-5-9-19(18)24(27)28/h1-13H,14-15H2