methyl 3-[[2-[(2S)-butan-2-yl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-[(2S)-butan-2-yl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-[(1S)-1-methylpropyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(2S)-butan-2-yl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-butan-2-yl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-[(1S)-1-methylpropyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H20N2O5/c1-4-12(2)16-7-5-6-8-17(16)20-18(22)13-9-14(19(23)26-3)11-15(10-13)21(24)25/h5-12H,4H2,1-3H3,(H,20,22)/t12-/m0/s1