ethyl 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(2,6-diisopropylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2,6-di(propan-2-yl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2,6-diisopropylphenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)[N+](=O)[O-]

InChI

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