[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[cyclopropyl-(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18FN3O5 MolecularWeight: 375.351023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N(CC2=CC=CC=C2F)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N(CC2=CC=CC=C2F)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN3O5/c1-20-10-14(22(25)26)8-16(20)18(24)27-11-17(23)21(13-6-7-13)9-12-4-2-3-5-15(12)19/h2-5,8,10,13H,6-7,9,11H2,1H3