5-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]-2-nitro-phenolate Openeye Name: 2-nitro-5-[[(1S)-1-(p-tolyl)propyl]carbamoyl]phenolate CAS Name: 5-[[[(1S)-1-(4-methylphenyl)propyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]-2-nitrophenolate Traditional Name: 2-nitro-5-[[(1S)-1-(p-tolyl)propyl]carbamoyl]phenolate Formula: C17H17N2O4- MolecularWeight: 313.32788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-3-14(12-6-4-11(2)5-7-12)18-17(21)13-8-9-15(19(22)23)16(20)10-13/h4-10,14,20H,3H2,1-2H3,(H,18,21)/p-1/t14-/m0/s1