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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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