[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C25H29N3O8 MolecularWeight: 499.51306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2NC(=O)C3CCCCC3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2NC(=O)C3CCCCC3)OC)OC

InChI

InChI=1S/C25H29N3O8/c1-15-18(10-7-11-20(15)28(32)33)26-23(29)14-36-25(31)17-12-21(34-2)22(35-3)13-19(17)27-24(30)16-8-5-4-6-9-16/h7,10-13,16H,4-6,8-9,14H2,1-3H3,(H,26,29)(H,27,30)