4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(dimethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(dimethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(dimethylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(dimethylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(dimethylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-(dimethylamino)-4-keto-butyric acid Formula: C12H14ClN3O5 MolecularWeight: 315.70966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CN(C)C(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C12H14ClN3O5/c1-15(2)10(12(18)19)6-11(17)14-9-5-7(16(20)21)3-4-8(9)13/h3-5,10H,6H2,1-2H3,(H,14,17)(H,18,19)