2-(3,3-diphenylpropylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(3,3-diphenylpropylamino)-5-nitro-benzoic acid Openeye Name: 2-(3,3-diphenylpropylamino)-5-nitro-benzoic acid CAS Name: 2-(3,3-diphenylpropylamino)-5-nitrobenzoic acid IUPAC Name: 2-(3,3-diphenylpropylamino)-5-nitrobenzoic acid Traditional Name: 2-(3,3-diphenylpropylamino)-5-nitro-benzoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4/c25-22(26)20-15-18(24(27)28)11-12-21(20)23-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19,23H,13-14H2,(H,25,26)