1-(4-ethoxy-4-oxidanylidene-butyl)-4-(4-nitrophenyl)carbonyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-ethoxy-4-oxidanylidene-butyl)-4-(4-nitrophenyl)carbonyl-pyrrole-3-carboxylic acid Openeye Name: 1-(4-ethoxy-4-oxo-butyl)-4-(4-nitrobenzoyl)pyrrole-3-carboxylic acid CAS Name: 1-(4-ethoxy-4-oxobutyl)-4-[(4-nitrophenyl)-oxomethyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-(4-ethoxy-4-oxobutyl)-4-(4-nitrobenzoyl)pyrrole-3-carboxylic acid Traditional Name: 1-(4-ethoxy-4-keto-butyl)-4-(4-nitrobenzoyl)pyrrole-3-carboxylic acid Formula: C18H18N2O7 MolecularWeight: 374.34472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7/c1-2-27-16(21)4-3-9-19-10-14(15(11-19)18(23)24)17(22)12-5-7-13(8-6-12)20(25)26/h5-8,10-11H,2-4,9H2,1H3,(H,23,24)