(E)-4-[(4-methyl-3,5-dinitro-phenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(4-methyl-3,5-dinitro-phenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-methyl-3,5-dinitro-anilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-methyl-3,5-dinitroanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-methyl-3,5-dinitroanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(4-methyl-3,5-dinitro-anilino)but-2-enoic acid Formula: C11H9N3O7 MolecularWeight: 295.20506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O7/c1-6-8(13(18)19)4-7(5-9(6)14(20)21)12-10(15)2-3-11(16)17/h2-5H,1H3,(H,12,15)(H,16,17)/b3-2+