(4-nitrophenyl) 2-[4-(prop-2-enoylamino)butoxy]benzoate

Systemtic Name: (4-nitrophenyl) 2-[4-(prop-2-enoylamino)butoxy]benzoate Openeye Name: (4-nitrophenyl) 2-[4-(prop-2-enoylamino)butoxy]benzoate CAS Name: 2-[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[4-(prop-2-enoylamino)butoxy]benzoate Traditional Name: 2-(4-acrylamidobutoxy)benzoic acid (4-nitrophenyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CC(=O)NCCCCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-2-19(23)21-13-5-6-14-27-18-8-4-3-7-17(18)20(24)28-16-11-9-15(10-12-16)22(25)26/h2-4,7-12H,1,5-6,13-14H2,(H,21,23)