ethyl 3-nitro-5-[[2-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[2-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]benzoate Openeye Name: ethyl 3-[[2-(isopropoxymethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[2-(propan-2-yloxymethyl)phenyl]methylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[2-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-[[2-(isopropoxymethyl)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=CC=C2COC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=CC=C2COC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-4-28-21(25)18-9-17(10-19(11-18)23(26)27)20(24)22-12-15-7-5-6-8-16(15)13-29-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,22,24)