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

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5/c1-16-9-12(18(21)22)8-13(16)15(20)23-10-14(19)17(2)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3