O1-ethyl O3-[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[[[(2-methylcyclohexyl)amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[(2-methylcyclohexyl)carbamoylamino]ethyl] ester Formula: C20H25N3O8 MolecularWeight: 435.4278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O8/c1-3-30-18(25)13-8-14(10-15(9-13)23(28)29)19(26)31-11-17(24)22-20(27)21-16-7-5-4-6-12(16)2/h8-10,12,16H,3-7,11H2,1-2H3,(H2,21,22,24,27)