4-[(5,5,8,8-tetramethyl-3-nitro-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid

Systemtic Name: 4-[(5,5,8,8-tetramethyl-3-nitro-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid Openeye Name: 4-[(1,1,4,4-tetramethyl-7-nitro-tetralin-6-yl)carbamoyl]benzoic acid CAS Name: 4-[oxo-[(5,5,8,8-tetramethyl-3-nitro-6,7-dihydronaphthalen-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[(5,5,8,8-tetramethyl-3-nitro-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid Traditional Name: 4-[(1,1,4,4-tetramethyl-7-nitro-tetralin-6-yl)carbamoyl]benzoic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-21(2)9-10-22(3,4)16-12-18(24(28)29)17(11-15(16)21)23-19(25)13-5-7-14(8-6-13)20(26)27/h5-8,11-12H,9-10H2,1-4H3,(H,23,25)(H,26,27)