ethyl 3-[butanoyl(pyridin-2-ylmethyl)amino]-4-nitro-benzoate

Systemtic Name: ethyl 3-[butanoyl(pyridin-2-ylmethyl)amino]-4-nitro-benzoate Openeye Name: ethyl 3-[butanoyl(2-pyridylmethyl)amino]-4-nitro-benzoate CAS Name: 4-nitro-3-[1-oxobutyl(2-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[butanoyl(pyridin-2-ylmethyl)amino]-4-nitrobenzoate Traditional Name: 3-[butyryl(2-pyridylmethyl)amino]-4-nitro-benzoic acid ethyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC=CC=N1)C2=C(C=CC(=C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N(CC1=CC=CC=N1)C2=C(C=CC(=C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-3-7-18(23)21(13-15-8-5-6-11-20-15)17-12-14(19(24)27-4-2)9-10-16(17)22(25)26/h5-6,8-12H,3-4,7,13H2,1-2H3