[2-benzamido-3-[(4-methoxy-3-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-triphenyl-phosphanium perchlorate

Systemtic Name: [2-benzamido-3-[(4-methoxy-3-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-triphenyl-phosphanium perchlorate Openeye Name: [2-benzamido-3-(4-methoxy-3-nitro-anilino)-3-oxo-prop-1-enyl]-triphenyl-phosphonium perchlorate CAS Name: [2-benzamido-3-(4-methoxy-3-nitroanilino)-3-oxoprop-1-enyl]-triphenylphosphonium perchlorate IUPAC Name: [2-benzamido-3-(4-methoxy-3-nitroanilino)-3-oxoprop-1-enyl]-triphenylphosphanium perchlorate Traditional Name: [2-benzamido-3-keto-3-(4-methoxy-3-nitro-anilino)prop-1-enyl]-triphenyl-phosphonium perchlorate Formula: C35H29ClN3O9P MolecularWeight: 702.046221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(=C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C35H28N3O5P.ClHO4/c1-43-33-23-22-27(24-32(33)38(41)42)36-35(40)31(37-34(39)26-14-6-2-7-15-26)25-44(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30;2-1(3,4)5/h2-25H,1H3,(H-,36,37,39,40);(H,2,3,4,5)