ethyl 3-[(4-methylphenyl)methyl-propyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-methylphenyl)methyl-propyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-nitro-5-[propyl(p-tolylmethyl)carbamoyl]benzoate CAS Name: 3-[[(4-methylphenyl)methyl-propylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methylphenyl)methyl-propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-methylbenzyl)-propyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H24N2O5/c1-4-10-22(14-16-8-6-15(3)7-9-16)20(24)17-11-18(21(25)28-5-2)13-19(12-17)23(26)27/h6-9,11-13H,4-5,10,14H2,1-3H3