(3E)-1-(4-chlorophenyl)-3-[2-(3-nitrophenyl)-3H-isoindol-1-ylidene]urea

Systemtic Name: (3E)-1-(4-chlorophenyl)-3-[2-(3-nitrophenyl)-3H-isoindol-1-ylidene]urea Openeye Name: (3E)-1-(4-chlorophenyl)-3-[2-(3-nitrophenyl)isoindolin-1-ylidene]urea CAS Name: (3E)-1-(4-chlorophenyl)-3-[2-(3-nitrophenyl)-3H-isoindol-1-ylidene]urea IUPAC Name: (3E)-1-(4-chlorophenyl)-3-[2-(3-nitrophenyl)-3H-isoindol-1-ylidene]urea Traditional Name: (3E)-1-(4-chlorophenyl)-3-[2-(3-nitrophenyl)isoindolin-1-ylidene]urea Formula: C21H15ClN4O3 MolecularWeight: 406.8218

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)NC3=CC=C(C=C3)Cl)N1C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2/C(=N\C(=O)NC3=CC=C(C=C3)Cl)/N1C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O3/c22-15-8-10-16(11-9-15)23-21(27)24-20-19-7-2-1-4-14(19)13-25(20)17-5-3-6-18(12-17)26(28)29/h1-12H,13H2,(H,23,27)/b24-20+