methyl 3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C25H20ClN3O5 MolecularWeight: 477.8964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C25H20ClN3O5/c1-34-25(31)16-10-15(11-17(12-16)29(32)33)24(30)28-14-20(18-6-2-4-8-22(18)26)21-13-27-23-9-5-3-7-19(21)23/h2-13,20,27H,14H2,1H3,(H,28,30)