4-[[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid

Systemtic Name: 4-[[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 4-[[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 4-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 4-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 4-[[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-13-10-16(12-22-17-6-4-15(5-7-17)21(25)26)14(2)23(13)19-9-8-18(24(27)28)11-20(19)29-3/h4-12H,1-3H3,(H,25,26)