methyl 4-[cyclohexyl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxidanylidene-ethyl]amino]-3-nitro-benzoate

Systemtic Name: methyl 4-[cyclohexyl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxidanylidene-ethyl]amino]-3-nitro-benzoate Openeye Name: methyl 4-[cyclohexyl-[2-(cyclohexylamino)-1-(2-furyl)-2-oxo-ethyl]amino]-3-nitro-benzoate CAS Name: 4-[cyclohexyl-[2-(cyclohexylamino)-1-(2-furanyl)-2-oxoethyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[cyclohexyl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-3-nitrobenzoate Traditional Name: 4-[cyclohexyl-[2-(cyclohexylamino)-1-(2-furyl)-2-keto-ethyl]amino]-3-nitro-benzoic acid methyl ester Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N(C2CCCCC2)C(C3=CC=CO3)C(=O)NC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N(C2CCCCC2)C(C3=CC=CO3)C(=O)NC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H33N3O6/c1-34-26(31)18-14-15-21(22(17-18)29(32)33)28(20-11-6-3-7-12-20)24(23-13-8-16-35-23)25(30)27-19-9-4-2-5-10-19/h8,13-17,19-20,24H,2-7,9-12H2,1H3,(H,27,30)