ethyl 3-[[1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H26N2O5/c1-5-15-7-9-16(10-8-15)20(14(3)4)23-21(25)17-11-18(22(26)29-6-2)13-19(12-17)24(27)28/h7-14,20H,5-6H2,1-4H3,(H,23,25)