(E)-4-[(4,5-dimethyl-2-nitro-phenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(4,5-dimethyl-2-nitro-phenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4,5-dimethyl-2-nitro-anilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4,5-dimethyl-2-nitroanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4,5-dimethyl-2-nitroanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4,5-dimethyl-2-nitro-anilino)-4-keto-but-2-enoic acid Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H12N2O5/c1-7-5-9(10(14(18)19)6-8(7)2)13-11(15)3-4-12(16)17/h3-6H,1-2H3,(H,13,15)(H,16,17)/b4-3+