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

Systemtic Name: 5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]-2-nitro-phenolate Openeye Name: 2-nitro-5-[[(1S)-1-(o-tolyl)ethyl]carbamoyl]phenolate CAS Name: 5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]-2-nitrophenolate Traditional Name: 2-nitro-5-[[(1S)-1-(o-tolyl)ethyl]carbamoyl]phenolate Formula: C16H15N2O4- MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16N2O4/c1-10-5-3-4-6-13(10)11(2)17-16(20)12-7-8-14(18(21)22)15(19)9-12/h3-9,11,19H,1-2H3,(H,17,20)/p-1/t11-/m0/s1