4-[(4-bromanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]-2-nitro-benzoic acid

Systemtic Name: 4-[(4-bromanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]-2-nitro-benzoic acid Openeye Name: 4-[(8-bromo-1,1,4,4-tetramethyl-tetralin-6-yl)carbamoyl]-2-nitro-benzoic acid CAS Name: 4-[[(4-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-oxomethyl]-2-nitrobenzoic acid IUPAC Name: 4-[(4-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]-2-nitrobenzoic acid Traditional Name: 4-[(8-bromo-1,1,4,4-tetramethyl-tetralin-6-yl)carbamoyl]-2-nitro-benzoic acid Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C(C=C(C=C21)NC(=O)C3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-])Br)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C(C=C(C=C21)NC(=O)C3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-])Br)(C)C)C

InChI

InChI=1S/C22H23BrN2O5/c1-21(2)7-8-22(3,4)18-15(21)10-13(11-16(18)23)24-19(26)12-5-6-14(20(27)28)17(9-12)25(29)30/h5-6,9-11H,7-8H2,1-4H3,(H,24,26)(H,27,28)