butyl 3-[3-(3-nitrophenyl)prop-2-enoylamino]benzoate

Systemtic Name: butyl 3-[3-(3-nitrophenyl)prop-2-enoylamino]benzoate Openeye Name: butyl 3-[3-(3-nitrophenyl)prop-2-enoylamino]benzoate CAS Name: 3-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[3-(3-nitrophenyl)prop-2-enoylamino]benzoate Traditional Name: 3-[[3-(3-nitrophenyl)acryloyl]amino]benzoic acid butyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c1-2-3-12-27-20(24)16-7-5-8-17(14-16)21-19(23)11-10-15-6-4-9-18(13-15)22(25)26/h4-11,13-14H,2-3,12H2,1H3,(H,21,23)