butyl 4-[3-(3-nitrophenyl)prop-2-enoylamino]benzoate

Systemtic Name: butyl 4-[3-(3-nitrophenyl)prop-2-enoylamino]benzoate Openeye Name: butyl 4-[3-(3-nitrophenyl)prop-2-enoylamino]benzoate CAS Name: 4-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(3-nitrophenyl)prop-2-enoylamino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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