5-bromanyl-2-[[3-(naphthalen-2-ylamino)-3-oxidanylidene-propyl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[3-(naphthalen-2-ylamino)-3-oxidanylidene-propyl]amino]benzoic acid Openeye Name: 5-bromo-2-[[3-(2-naphthylamino)-3-oxo-propyl]amino]benzoic acid CAS Name: 5-bromo-2-[[3-(2-naphthalenylamino)-3-oxopropyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[3-(naphthalen-2-ylamino)-3-oxopropyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[3-keto-3-(2-naphthylamino)propyl]amino]benzoic acid Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)CCNC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)CCNC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H17BrN2O3/c21-15-6-8-18(17(12-15)20(25)26)22-10-9-19(24)23-16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11-12,22H,9-10H2,(H,23,24)(H,25,26)