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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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