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

Systemtic Name: ethyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[[(E)-3-(3-nitrophenyl)acryloyl]-(3-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=CN=CC=C2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O5/c1-2-32-24(29)20-9-11-21(12-10-20)26(17-19-6-4-14-25-16-19)23(28)13-8-18-5-3-7-22(15-18)27(30)31/h3-16H,2,17H2,1H3/b13-8+