methyl 3-nitro-5-(4-phenylbutan-2-ylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(4-phenylbutan-2-ylcarbamoyl)benzoate Openeye Name: methyl 3-[(1-methyl-3-phenyl-propyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-(4-phenylbutan-2-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(4-phenylbutan-2-ylcarbamoyl)benzoate Traditional Name: 3-[(1-methyl-3-phenyl-propyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H20N2O5/c1-13(8-9-14-6-4-3-5-7-14)20-18(22)15-10-16(19(23)26-2)12-17(11-15)21(24)25/h3-7,10-13H,8-9H2,1-2H3,(H,20,22)