methyl 3-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-[[(1S)-1-(p-tolyl)propyl]carbamoyl]benzoate CAS Name: 3-[[[(1S)-1-(4-methylphenyl)propyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[[(1S)-1-(p-tolyl)propyl]carbamoyl]benzoic acid methyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-4-17(13-7-5-12(2)6-8-13)20-18(22)14-9-15(19(23)26-3)11-16(10-14)21(24)25/h5-11,17H,4H2,1-3H3,(H,20,22)/t17-/m0/s1