3-[1-[(2-ethyl-3-methyl-butanoyl)amino]ethyl]-4-nitro-benzoate

Systemtic Name: 3-[1-[(2-ethyl-3-methyl-butanoyl)amino]ethyl]-4-nitro-benzoate Openeye Name: 3-[1-[(2-ethyl-3-methyl-butanoyl)amino]ethyl]-4-nitro-benzoate CAS Name: 3-[1-[(2-ethyl-3-methyl-1-oxobutyl)amino]ethyl]-4-nitrobenzoate IUPAC Name: 3-[1-[(2-ethyl-3-methylbutanoyl)amino]ethyl]-4-nitrobenzoate Traditional Name: 3-[1-[(2-ethyl-3-methyl-butanoyl)amino]ethyl]-4-nitro-benzoate Formula: C16H21N2O5- MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-5-12(9(2)3)15(19)17-10(4)13-8-11(16(20)21)6-7-14(13)18(22)23/h6-10,12H,5H2,1-4H3,(H,17,19)(H,20,21)/p-1