methyl 1-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c1-28-17(25)18(8-3-2-4-9-18)19-13(22)10-20-15(23)11-6-5-7-12(21(26)27)14(11)16(20)24/h5-7H,2-4,8-10H2,1H3,(H,19,22)