methyl 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-pentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-pentylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-pentylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[amyl-[(E)-3-(4-nitrophenyl)acryloyl]amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CO1)C(=O)OC)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC1=NC(=CO1)C(=O)OC)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-3-4-5-12-22(13-18-21-17(14-29-18)20(25)28-2)19(24)11-8-15-6-9-16(10-7-15)23(26)27/h6-11,14H,3-5,12-13H2,1-2H3/b11-8+