2-(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-2-nitro-3H-pyrrole-1-carboxylic acid

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-2-nitro-3H-pyrrole-1-carboxylic acid Openeye Name: 2-(3,3-dimethyl-2-oxo-indolin-5-yl)-2-nitro-3H-pyrrole-1-carboxylic acid CAS Name: 2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-nitro-3H-pyrrole-1-carboxylic acid IUPAC Name: 2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-nitro-3H-pyrrole-1-carboxylic acid Traditional Name: 2-(2-keto-3,3-dimethyl-indolin-5-yl)-2-nitro-2-pyrroline-1-carboxylic acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3(CC=CN3C(=O)O)[N+](=O)[O-])NC1=O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3(CC=CN3C(=O)O)[N+](=O)[O-])NC1=O)C

InChI

InChI=1S/C15H15N3O5/c1-14(2)10-8-9(4-5-11(10)16-12(14)19)15(18(22)23)6-3-7-17(15)13(20)21/h3-5,7-8H,6H2,1-2H3,(H,16,19)(H,20,21)