4-(3-morpholin-4-ylpropylamino)-3-nitro-benzoic acid

Systemtic Name: 4-(3-morpholin-4-ylpropylamino)-3-nitro-benzoic acid Openeye Name: 4-(3-morpholinopropylamino)-3-nitro-benzoic acid CAS Name: 4-[3-(4-morpholinyl)propylamino]-3-nitrobenzoic acid IUPAC Name: 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzoic acid Traditional Name: 4-(3-morpholinopropylamino)-3-nitro-benzoic acid Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5/c18-14(19)11-2-3-12(13(10-11)17(20)21)15-4-1-5-16-6-8-22-9-7-16/h2-3,10,15H,1,4-9H2,(H,18,19)