methyl 2-[2-(3-nitroindol-1-yl)ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(3-nitroindol-1-yl)ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(3-nitroindol-1-yl)acetyl]amino]acetate CAS Name: 2-[[2-(3-nitro-1-indolyl)-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(3-nitroindol-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(3-nitroindol-1-yl)acetyl]amino]acetic acid methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CN1C=C(C2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)CN1C=C(C2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-21-13(18)6-14-12(17)8-15-7-11(16(19)20)9-4-2-3-5-10(9)15/h2-5,7H,6,8H2,1H3,(H,14,17)