2-[methyl(pyridin-3-ylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-[methyl(pyridin-3-ylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-[methyl(3-pyridylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-[methyl(3-pyridinylmethyl)amino]ethyl ester IUPAC Name: 2-[methyl(pyridin-3-ylmethyl)amino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 2-[methyl(3-pyridylmethyl)amino]ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCCN(C)CC2=CN=CC=C2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCN(C)CC2=CN=CC=C2

InChI

InChI=1S/C20H21N3O5/c1-15(24)19(12-16-5-3-7-18(11-16)23(26)27)20(25)28-10-9-22(2)14-17-6-4-8-21-13-17/h3-8,11-13H,9-10,14H2,1-2H3/b19-12+