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

Systemtic Name: [2-[[4-(morpholin-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[4-(morpholinomethyl)anilino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[4-(4-morpholinylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-2-[4-(morpholinomethyl)anilino]ethyl] ester Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6/c1-21-12-16(23(26)27)10-17(21)19(25)29-13-18(24)20-15-4-2-14(3-5-15)11-22-6-8-28-9-7-22/h2-5,10,12H,6-9,11,13H2,1H3,(H,20,24)