O2-(5-methyl-2-propan-2-yl-cyclohexyl) O1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] benzene-1,2-dicarboxylate

Systemtic Name: O2-(5-methyl-2-propan-2-yl-cyclohexyl) O1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] benzene-1,2-dicarboxylate Openeye Name: O2-(2-isopropyl-5-methyl-cyclohexyl) O1-[2-(3-nitroanilino)-2-oxo-ethyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(5-methyl-2-propan-2-ylcyclohexyl) ester O1-[2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: 2-O-(5-methyl-2-propan-2-ylcyclohexyl) 1-O-[2-(3-nitroanilino)-2-oxoethyl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(2-isopropyl-5-methyl-cyclohexyl) ester O1-[2-keto-2-(3-nitroanilino)ethyl] ester Formula: C26H30N2O7 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C26H30N2O7/c1-16(2)20-12-11-17(3)13-23(20)35-26(31)22-10-5-4-9-21(22)25(30)34-15-24(29)27-18-7-6-8-19(14-18)28(32)33/h4-10,14,16-17,20,23H,11-13,15H2,1-3H3,(H,27,29)