(3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-nitrobenzoate

Systemtic Name: (3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-nitrobenzoate Openeye Name: [2-methyl-1-(phenylcarbamoyl)propyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (1-anilino-3-methyl-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-3-methyl-1-oxobutan-2-yl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-methyl-1-(phenylcarbamoyl)propyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-12(2)16(17(21)19-13-8-4-3-5-9-13)25-18(22)14-10-6-7-11-15(14)20(23)24/h3-12,16H,1-2H3,(H,19,21)