[4-[3-[(6-bromanyl-3-nitro-pyridin-2-yl)amino]-2-methyl-3-oxidanylidene-propyl]-3-chloranyl-phenyl] ethanoate

Systemtic Name: [4-[3-[(6-bromanyl-3-nitro-pyridin-2-yl)amino]-2-methyl-3-oxidanylidene-propyl]-3-chloranyl-phenyl] ethanoate Openeye Name: [4-[3-[(6-bromo-3-nitro-2-pyridyl)amino]-2-methyl-3-oxo-propyl]-3-chloro-phenyl] acetate CAS Name: acetic acid [4-[3-[(6-bromo-3-nitro-2-pyridinyl)amino]-2-methyl-3-oxopropyl]-3-chlorophenyl] ester IUPAC Name: [4-[3-[(6-bromo-3-nitropyridin-2-yl)amino]-2-methyl-3-oxopropyl]-3-chlorophenyl] acetate Traditional Name: acetic acid [4-[3-[(6-bromo-3-nitro-2-pyridyl)amino]-3-keto-2-methyl-propyl]-3-chloro-phenyl] ester Formula: C17H15BrClN3O5 MolecularWeight: 456.6751

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=C(C=C1)OC(=O)C)Cl)C(=O)NC2=C(C=CC(=N2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=C(C=C(C=C1)OC(=O)C)Cl)C(=O)NC2=C(C=CC(=N2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrClN3O5/c1-9(7-11-3-4-12(8-13(11)19)27-10(2)23)17(24)21-16-14(22(25)26)5-6-15(18)20-16/h3-6,8-9H,7H2,1-2H3,(H,20,21,24)