4-butyl-5-[(3-butyl-5-carboxy-4-methyl-1H-pyrrol-2-yl)-(3-nitrophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-butyl-5-[(3-butyl-5-carboxy-4-methyl-1H-pyrrol-2-yl)-(3-nitrophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-butyl-5-[(3-butyl-5-carboxy-4-methyl-1H-pyrrol-2-yl)-(3-nitrophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-butyl-5-[(3-butyl-5-carboxy-4-methyl-1H-pyrrol-2-yl)-(3-nitrophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-butyl-5-[(3-butyl-5-carboxy-4-methyl-1H-pyrrol-2-yl)-(3-nitrophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-butyl-5-[(3-butyl-5-carboxy-4-methyl-1H-pyrrol-2-yl)-(3-nitrophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1C)C(=O)O)C(C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C(=C(N3)C(=O)O)C)CCCC

Isomeric SMILES

CCCCC1=C(NC(=C1C)C(=O)O)C(C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C(=C(N3)C(=O)O)C)CCCC

InChI

InChI=1S/C27H33N3O6/c1-5-7-12-19-15(3)22(26(31)32)28-24(19)21(17-10-9-11-18(14-17)30(35)36)25-20(13-8-6-2)16(4)23(29-25)27(33)34/h9-11,14,21,28-29H,5-8,12-13H2,1-4H3,(H,31,32)(H,33,34)