5-methyl-4-nitro-1-(phenylmethyl)pyrrole-2-carboxylic acid

Systemtic Name: 5-methyl-4-nitro-1-(phenylmethyl)pyrrole-2-carboxylic acid Openeye Name: 1-benzyl-5-methyl-4-nitro-pyrrole-2-carboxylic acid CAS Name: 5-methyl-4-nitro-1-(phenylmethyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-5-methyl-4-nitropyrrole-2-carboxylic acid Traditional Name: 1-benzyl-5-methyl-4-nitro-pyrrole-2-carboxylic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1CC2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4/c1-9-11(15(18)19)7-12(13(16)17)14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)