4-[4-[(3-chloranyl-4-methyl-2-pyrrol-1-yl-phenyl)carbamoylamino]phenoxy]-N-methyl-1-oxidanidyl-pyridin-1-ium-2-carboxamide

Systemtic Name: 4-[4-[(3-chloranyl-4-methyl-2-pyrrol-1-yl-phenyl)carbamoylamino]phenoxy]-N-methyl-1-oxidanidyl-pyridin-1-ium-2-carboxamide Openeye Name: 4-[4-[(3-chloro-4-methyl-2-pyrrol-1-yl-phenyl)carbamoylamino]phenoxy]-N-methyl-1-oxido-pyridin-1-ium-2-carboxamide CAS Name: 4-[4-[[[3-chloro-4-methyl-2-(1-pyrrolyl)anilino]-oxomethyl]amino]phenoxy]-N-methyl-1-oxido-2-pyridin-1-iumcarboxamide IUPAC Name: 4-[4-[(3-chloro-4-methyl-2-pyrrol-1-ylphenyl)carbamoylamino]phenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide Traditional Name: 4-[4-[(3-chloro-4-methyl-2-pyrrol-1-yl-phenyl)carbamoylamino]phenoxy]-N-methyl-1-oxido-pyridin-1-ium-2-carboxamide Formula: C25H22ClN5O4 MolecularWeight: 491.92628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC(=[N+](C=C3)[O-])C(=O)NC)N4C=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC(=[N+](C=C3)[O-])C(=O)NC)N4C=CC=C4)Cl

InChI

InChI=1S/C25H22ClN5O4/c1-16-5-10-20(23(22(16)26)30-12-3-4-13-30)29-25(33)28-17-6-8-18(9-7-17)35-19-11-14-31(34)21(15-19)24(32)27-2/h3-15H,1-2H3,(H,27,32)(H2,28,29,33)