ethyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[[(E)-3-(3-nitrophenyl)acryloyl]-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5/c1-2-32-24(29)20-7-9-21(10-8-20)26(17-19-12-14-25-15-13-19)23(28)11-6-18-4-3-5-22(16-18)27(30)31/h3-16H,2,17H2,1H3/b11-6+