N-(2-tert-butylphenyl)-1-methyl-4-nitro-pyrrole-2-carboxamide

Systemtic Name: N-(2-tert-butylphenyl)-1-methyl-4-nitro-pyrrole-2-carboxamide Openeye Name: N-(2-tert-butylphenyl)-1-methyl-4-nitro-pyrrole-2-carboxamide CAS Name: N-(2-tert-butylphenyl)-1-methyl-4-nitro-2-pyrrolecarboxamide IUPAC Name: N-(2-tert-butylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide Traditional Name: N-(2-tert-butylphenyl)-1-methyl-4-nitro-pyrrole-2-carboxamide Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-16(2,3)12-7-5-6-8-13(12)17-15(20)14-9-11(19(21)22)10-18(14)4/h5-10H,1-4H3,(H,17,20)