(E)-4-[(2-chloranyl-4,6-dinitro-phenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(2-chloranyl-4,6-dinitro-phenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2-chloro-4,6-dinitro-anilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(2-chloro-4,6-dinitroanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2-chloro-4,6-dinitroanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(2-chloro-4,6-dinitro-anilino)-4-keto-but-2-enoic acid Formula: C10H6ClN3O7 MolecularWeight: 315.62354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC(=O)/C=C/C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H6ClN3O7/c11-6-3-5(13(18)19)4-7(14(20)21)10(6)12-8(15)1-2-9(16)17/h1-4H,(H,12,15)(H,16,17)/b2-1+