[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C(=C(N2)C)C(C)O)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C(=C(N2)C)C(C)O)C)C

InChI

InChI=1S/C19H23N3O6/c1-9-6-7-14(22(26)27)17(10(9)2)21-15(24)8-28-19(25)18-11(3)16(13(5)23)12(4)20-18/h6-7,13,20,23H,8H2,1-5H3,(H,21,24)