3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]propanoic acid

Systemtic Name: 3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]propanoic acid CAS Name: 3-[1-(2,4-dinitrophenyl)-4-imidazolyl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid IUPAC Name: 3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]propionic acid Formula: C19H23N5O7 MolecularWeight: 433.41522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H23N5O7/c1-11(2)6-15(12(3)25)21-16(19(26)27)7-13-9-22(10-20-13)17-5-4-14(23(28)29)8-18(17)24(30)31/h4-5,8-11,15-16,21H,6-7H2,1-3H3,(H,26,27)