methyl 2-[2-[2-(6-bromanyl-3-nitro-indol-1-yl)ethanoylamino]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[2-(6-bromanyl-3-nitro-indol-1-yl)ethanoylamino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[2-(6-bromo-3-nitro-1-indolyl)-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[2-(6-bromo-3-nitroindol-1-yl)acetyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]acetyl]amino]acetic acid methyl ester Formula: C15H15BrN4O6 MolecularWeight: 427.2068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CNC(=O)CN1C=C(C2=C1C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)CNC(=O)CN1C=C(C2=C1C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H15BrN4O6/c1-26-15(23)6-18-13(21)5-17-14(22)8-19-7-12(20(24)25)10-3-2-9(16)4-11(10)19/h2-4,7H,5-6,8H2,1H3,(H,17,22)(H,18,21)