2-methyl-2-[1-(3-nitrophenyl)carbonylindol-3-yl]butanoic acid

Systemtic Name: 2-methyl-2-[1-(3-nitrophenyl)carbonylindol-3-yl]butanoic acid Openeye Name: 2-methyl-2-[1-(3-nitrobenzoyl)indol-3-yl]butanoic acid CAS Name: 2-methyl-2-[1-[(3-nitrophenyl)-oxomethyl]-3-indolyl]butanoic acid IUPAC Name: 2-methyl-2-[1-(3-nitrobenzoyl)indol-3-yl]butanoic acid Traditional Name: 2-methyl-2-[1-(3-nitrobenzoyl)indol-3-yl]butyric acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CN(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C)(C1=CN(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H18N2O5/c1-3-20(2,19(24)25)16-12-21(17-10-5-4-9-15(16)17)18(23)13-7-6-8-14(11-13)22(26)27/h4-12H,3H2,1-2H3,(H,24,25)