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

Systemtic Name: 3-[(2-ethyl-3-methyl-butanoyl)amino]-4-(1-nitroethyl)benzoic acid Openeye Name: 3-[(2-ethyl-3-methyl-butanoyl)amino]-4-(1-nitroethyl)benzoic acid CAS Name: 3-[(2-ethyl-3-methyl-1-oxobutyl)amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-[(2-ethyl-3-methylbutanoyl)amino]-4-(1-nitroethyl)benzoic acid Traditional Name: 3-[(2-ethyl-3-methyl-butanoyl)amino]-4-(1-nitroethyl)benzoic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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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)