4-[2,5-dimethyl-3-[(4-nitrophenyl)iminomethyl]pyrrol-1-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[2,5-dimethyl-3-[(4-nitrophenyl)iminomethyl]pyrrol-1-yl]-3-methyl-benzoic acid Openeye Name: 4-[2,5-dimethyl-3-[(4-nitrophenyl)iminomethyl]pyrrol-1-yl]-3-methyl-benzoic acid CAS Name: 4-[2,5-dimethyl-3-[(4-nitrophenyl)iminomethyl]-1-pyrrolyl]-3-methylbenzoic acid IUPAC Name: 4-[2,5-dimethyl-3-[(4-nitrophenyl)iminomethyl]pyrrol-1-yl]-3-methylbenzoic acid Traditional Name: 4-[2,5-dimethyl-3-[(4-nitrophenyl)iminomethyl]pyrrol-1-yl]-3-methyl-benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-13-10-16(21(25)26)4-9-20(13)23-14(2)11-17(15(23)3)12-22-18-5-7-19(8-6-18)24(27)28/h4-12H,1-3H3,(H,25,26)