1-dodecyl-5-methyl-4-nitro-pyrrole-2-carboxylic acid

Systemtic Name: 1-dodecyl-5-methyl-4-nitro-pyrrole-2-carboxylic acid Openeye Name: 1-dodecyl-5-methyl-4-nitro-pyrrole-2-carboxylic acid CAS Name: 1-dodecyl-5-methyl-4-nitro-2-pyrrolecarboxylic acid IUPAC Name: 1-dodecyl-5-methyl-4-nitropyrrole-2-carboxylic acid Traditional Name: 1-lauryl-5-methyl-4-nitro-pyrrole-2-carboxylic acid Formula: C18H30N2O4 MolecularWeight: 338.4418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=C(C=C1C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCN1C(=C(C=C1C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C18H30N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-19-15(2)16(20(23)24)14-17(19)18(21)22/h14H,3-13H2,1-2H3,(H,21,22)