[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C14H9BrClN3O5 MolecularWeight: 414.59536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C14H9BrClN3O5/c15-10-3-1-8(5-11(10)19(22)23)14(21)24-7-13(20)18-12-4-2-9(16)6-17-12/h1-6H,7H2,(H,17,18,20)