5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methyleneamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]methylideneamino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-2-hydroxybenzoic acid Traditional Name: 5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methyleneamino]-2-hydroxy-benzoic acid Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C20H17N3O5/c1-12-8-14(11-21-15-6-7-19(24)18(9-15)20(25)26)13(2)22(12)16-4-3-5-17(10-16)23(27)28/h3-11,24H,1-2H3,(H,25,26)