[2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[2-(2-furylmethylcarbamoyl)-N-methyl-anilino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[2-[(2-furanylmethylamino)-oxomethyl]-N-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[2-(2-furfurylcarbamoyl)-N-methyl-anilino]-2-keto-ethyl] ester Formula: C21H20N4O7 MolecularWeight: 440.4061

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O7/c1-23-12-14(25(29)30)10-18(23)21(28)32-13-19(26)24(2)17-8-4-3-7-16(17)20(27)22-11-15-6-5-9-31-15/h3-10,12H,11,13H2,1-2H3,(H,22,27)