[2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-(4-bromo-2-ethyl-anilino)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-bromo-2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-ethylanilino)-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-bromo-2-ethyl-anilino)-2-keto-ethyl] ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O5/c1-2-11-9-13(18)5-8-15(11)19-16(21)10-25-17(22)12-3-6-14(7-4-12)20(23)24/h3-9H,2,10H2,1H3,(H,19,21)