ethyl 4-(3,4-dimethoxyphenyl)-3-[(5-nitrofuran-2-yl)carbonylamino]-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-3-[(5-nitrofuran-2-yl)carbonylamino]-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(5-nitrofuran-2-carbonyl)amino]pyrrole-2-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-3-[[(5-nitro-2-furanyl)-oxomethyl]amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(5-nitrofuran-2-carbonyl)amino]pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(5-nitro-2-furoyl)amino]pyrrole-2-carboxylic acid ethyl ester Formula: C27H25N3O8 MolecularWeight: 519.5027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O8/c1-4-37-27(32)25-24(28-26(31)21-12-13-23(38-21)30(33)34)19(16-29(25)15-17-8-6-5-7-9-17)18-10-11-20(35-2)22(14-18)36-3/h5-14,16H,4,15H2,1-3H3,(H,28,31)