[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N3O6/c1-13-9-16(24(27)28)6-7-19(13)22-20(25)12-30-21(26)18-10-14(2)23(15(18)3)11-17-5-4-8-29-17/h4-10H,11-12H2,1-3H3,(H,22,25)