(2S)-2-[bis(2,4-dinitrophenyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[bis(2,4-dinitrophenyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitro-anilino)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitro-anilino)-3-(1H-imidazol-5-yl)propionic acid Formula: C18H13N7O10 MolecularWeight: 487.33672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(CC3=CN=CN3)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[C@@H](CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C18H13N7O10/c26-18(27)17(5-10-8-19-9-20-10)21(13-3-1-11(22(28)29)6-15(13)24(32)33)14-4-2-12(23(30)31)7-16(14)25(34)35/h1-4,6-9,17H,5H2,(H,19,20)(H,26,27)/t17-/m0/s1