2-[4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: 2-[4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: 2-[4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitrophenyl]-oxomethyl]benzoate IUPAC Name: 2-[4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzoyl]benzoate Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c25-20(16-4-1-2-5-17(16)21(26)27)15-6-7-18(19(14-15)24(28)29)22-8-3-9-23-10-12-30-13-11-23/h1-2,4-7,14,22H,3,8-13H2,(H,26,27)