(3E)-3-[[[4-[(cyclopentylamino)methyl]phenyl]amino]-phenyl-methylidene]-5-nitro-1H-indol-2-one

Systemtic Name: (3E)-3-[[[4-[(cyclopentylamino)methyl]phenyl]amino]-phenyl-methylidene]-5-nitro-1H-indol-2-one Openeye Name: (3E)-3-[[4-[(cyclopentylamino)methyl]anilino]-phenyl-methylene]-5-nitro-indolin-2-one CAS Name: (3E)-3-[[4-[(cyclopentylamino)methyl]anilino]-phenylmethylidene]-5-nitro-1H-indol-2-one IUPAC Name: (3E)-3-[[4-[(cyclopentylamino)methyl]anilino]-phenylmethylidene]-5-nitro-1H-indol-2-one Traditional Name: (3E)-3-[[4-[(cyclopentylamino)methyl]anilino]-phenyl-methylene]-5-nitro-oxindole Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NCC2=CC=C(C=C2)NC(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NCC2=CC=C(C=C2)N/C(=C/3\C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)/C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-27-25(23-16-22(31(33)34)14-15-24(23)30-27)26(19-6-2-1-3-7-19)29-21-12-10-18(11-13-21)17-28-20-8-4-5-9-20/h1-3,6-7,10-16,20,28-29H,4-5,8-9,17H2,(H,30,32)/b26-25+