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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O7/c1-9-16(11(3)22)10(2)19-17(9)18(24)28-8-15(23)20-13-6-5-12(21(25)26)7-14(13)27-4/h5-7,11,19,22H,8H2,1-4H3,(H,20,23)/t11-/m0/s1