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

Systemtic Name: O1-ethyl O3-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(isopentylamino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(3-methylbutylamino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7/c1-4-25-16(21)12-7-13(9-14(8-12)19(23)24)17(22)26-10-15(20)18-6-5-11(2)3/h7-9,11H,4-6,10H2,1-3H3,(H,18,20)