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

Systemtic Name: methyl 3-[(4-methylphenyl)methyl-propyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-[propyl(p-tolylmethyl)carbamoyl]benzoate CAS Name: 3-[[(4-methylphenyl)methyl-propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)methyl-propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-methylbenzyl)-propyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-4-9-21(13-15-7-5-14(2)6-8-15)19(23)16-10-17(20(24)27-3)12-18(11-16)22(25)26/h5-8,10-12H,4,9,13H2,1-3H3