4-[[2,5-dimethyl-1-[4-(5-nitropyridin-2-yl)oxyphenyl]pyrrol-3-yl]methylideneamino]benzoic acid

Systemtic Name: 4-[[2,5-dimethyl-1-[4-(5-nitropyridin-2-yl)oxyphenyl]pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 4-[[2,5-dimethyl-1-[4-[(5-nitro-2-pyridyl)oxy]phenyl]pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 4-[[2,5-dimethyl-1-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 4-[[2,5-dimethyl-1-[4-(5-nitropyridin-2-yl)oxyphenyl]pyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 4-[[2,5-dimethyl-1-[4-[(5-nitro-2-pyridyl)oxy]phenyl]pyrrol-3-yl]methyleneamino]benzoic acid Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])C)C=NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])C)C=NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H20N4O5/c1-16-13-19(14-26-20-5-3-18(4-6-20)25(30)31)17(2)28(16)21-7-10-23(11-8-21)34-24-12-9-22(15-27-24)29(32)33/h3-15H,1-2H3,(H,30,31)