pentyl 4-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: pentyl 4-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: pentyl 4-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(3-nitrophenyl)acryloyl]amino]benzoic acid amyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H21N3O5/c1-2-3-4-12-30-22(27)17-8-10-19(11-9-17)24-21(26)18(15-23)13-16-6-5-7-20(14-16)25(28)29/h5-11,13-14H,2-4,12H2,1H3,(H,24,26)/b18-13+