[(3-methylphenyl)methyl-propanoyl-amino] 4-nitrobenzoate

Systemtic Name: [(3-methylphenyl)methyl-propanoyl-amino] 4-nitrobenzoate Openeye Name: [m-tolylmethyl(propanoyl)amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3-methylphenyl)methyl-(1-oxopropyl)amino] ester IUPAC Name: [(3-methylphenyl)methyl-propanoylamino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3-methylbenzyl)-propionyl-amino] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-3-17(21)19(12-14-6-4-5-13(2)11-14)25-18(22)15-7-9-16(10-8-15)20(23)24/h4-11H,3,12H2,1-2H3