methyl 4-[[2-(6-nitroindazol-1-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(6-nitroindazol-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(6-nitroindazol-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(6-nitro-1-indazolyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(6-nitroindazol-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(6-nitroindazol-1-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C18H16N4O5/c1-27-18(24)13-4-2-12(3-5-13)9-19-17(23)11-21-16-8-15(22(25)26)7-6-14(16)10-20-21/h2-8,10H,9,11H2,1H3,(H,19,23)